C11H15N5O4 Adenosine, 2′-O-methyl- (7CI, 8CI, 9CI, ACI)

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Nọmba ndekọ CAS

2140-79-6

Njirimara anụ ahụ igodo	Uru	Ọnọdụ
Ibu molekụla	281.27	-
Ebe mgbaze (nnwale)	204-206 Celsius C	-
Ebe a na-esi esi esi (buru amụma)	623.8± 65.0 Celsius	Pịa: 760 Torr
Njupụta (buru amụma)	1.84±0.1 g/cm3	Okpomọkụ: 20 °C; Pịa: 760 Torr
pKa (buru amụma)	13.13± 0.70	Okpomọkụ kachasị acidic: 25 Celsius

Aha ndị ọzọ na njirimara

Ọchịchị Canonical

OCC1OC(N2C= NC=3C(= NC= NC32)N)C(OC)C1O

Isomeric SMILES

O(C)[C@H]1[C@H](N2C=3C(N=C2)=C(N)N=CN3)O[C@H](CO)[C@H]1O

InChi

InChi= 1S/C11H15N5O4/c1-19-8-7(18)5(2-17)20-11(8)16-4-15-6-9(12)13- 3-14-10 (6)16/h3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7- ,8-,11-/m1/s1

Igodo InChi

FPUGCISOLXNPPC-IOSLPCCCSA-N

2 Aha ndị ọzọ maka ihe a

2 '-OMethyladenosine (ACI); Cordysinin B

Njirimara nnwale

Ngwongwo dị
Thermal

Ngwongwo	Uru	Isi mmalite ọnọdụ
Ebe mgbaze	204-206 Celsius C	(1) CAS

(1) Martinez-Montero, Sọl; Akwụkwọ akụkọ European nke Organic Chemistry, (2009) (19), 3265-3271, S3265/1-S3265/23, CAplus

Spectra nnwale

Spectra dị
1H NMR
13C NMR
IR
Mass

Njirimara amụma

Ngwongwo dị
Usoro ndu
Chemical
Njupụta
Lipinski
Ọdịdị metụtara
Thermal

Usoro ndu

Ngwongwo	Uru	Ọnọdụ	Isi mmalite
Ihe kpatara bioconcentration	1.0	pH 1; Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	1.0	pH 2; Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	1.0	pH 3; Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	1.0	pH 4; Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	1.78	pH 5; Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	1.97	pH 6; Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	1.99	pH 7; Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	1.99	pH 8; Okpomọkụ: 25 Celsius C	(1) ACD
Ihe kpatara bioconcentration	1.99	pH 9; Okpomọkụ: 25 Celsius C	(1) ACD

Isi mmalite Ọnọdụ Uru Ala

Ihe kpatara bioconcentration 1.99 pH 10; Okpomọkụ: 25 Celsius C (1) ACD

Chemical

Ngwongwo	Uru	Ọnọdụ	Isi mmalite
Koc	1.0	pH 1; Okpomọkụ: 25 Celsius C	(1) ACD
Koc	1.0	pH 2; Okpomọkụ: 25 Celsius C	(1) ACD
Koc	4.54	pH 3; Okpomọkụ: 25 Celsius C	(1) ACD
Koc	26.0	pH 4; Okpomọkụ: 25 Celsius C	(1) ACD
Koc	51.0	pH 5; Okpomọkụ: 25 Celsius C	(1) ACD
Koc	56.4	pH 6; Okpomọkụ: 25 Celsius C	(1) ACD
Koc	57.0	pH 7; Okpomọkụ: 25 Celsius C	(1) ACD
Koc	57.1	pH 8; Okpomọkụ: 25 Celsius C	(1) ACD
Koc	57.1	pH 9; Okpomọkụ: 25 Celsius C	(1) ACD
Koc	57.0	pH 10; Okpomọkụ: 25 Celsius C	(1) ACD
logD	-1.70	pH 1; Okpomọkụ: 25 Celsius C	(1) ACD
logD	-1.25	pH 2; Okpomọkụ: 25 Celsius C	(1) ACD
logD	-0.40	pH 3; Okpomọkụ: 25 Celsius C	(1) ACD
logD	0.36	pH 4; Okpomọkụ: 25 Celsius C	(1) ACD
logD	0.65	pH 5; Okpomọkụ: 25 Celsius C	(1) ACD
logD	0.69	pH 6; Okpomọkụ: 25 Celsius C	(1) ACD
logD	0.70	pH 7; Okpomọkụ: 25 Celsius C	(1) ACD
logD	0.70	pH 8; Okpomọkụ: 25 Celsius C	(1) ACD
logD	0.70	pH 9; Okpomọkụ: 25 Celsius C	(1) ACD
logD	0.70	pH 10; Okpomọkụ: 25 Celsius C	(1) ACD
logP	0.697± 0.596	Okpomọkụ: 25 Celsius C	(1) ACD
Ọkachamara Solubility dị n'ime	3.7 g/L	Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	886 g/L	pH 1; Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	309 g/L	pH 2; Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	45 g/L	pH 3; Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	7.9g/L	pH 4; Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	3.9 g/L	pH 5; Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	3.7 g/L	pH 6; Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	3.7 g/L	pH 7; Okpomọkụ: 25 Celsius C	(1) ACD

Ngwongwo	Uru	Ọnọdụ	Isi mmalite
Uka Solubility	3.7 g/L	pH 8; Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	3.7 g/L	pH 9; Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	3.7 g/L	pH 10; Okpomọkụ: 25 Celsius C	(1) ACD
Uka Solubility	3.7 g/L	Mmiri na-enweghị atụ pH 8.07; Okpomọkụ: 25 Celsius C	(1) ACD
Solubility dị n'ime Molar	0.013 mol / l	Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	3.15 mol / l	pH 1; Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	1.10 mol / l	pH 2; Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	0.16 mol / l	pH 3; Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	0.028 mol / l	pH 4; Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	0.014 mol / l	pH 5; Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	0.013 mol / l	pH 6; Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	0.013 mol / l	pH 7; Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	0.013 mol / l	pH 8; Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	0.013 mol / l	pH 9; Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	0.013 mol / l	pH 10; Okpomọkụ: 25 Celsius C	(1) ACD
Solubility Molar	0.013 mol / l	Mmiri na-enweghị atụ pH 8.07; Okpomọkụ: 25 Celsius C	(1) ACD
Ibu molekụla	281.27
pKa	13.13± 0.70	Okpomọkụ kachasị acidic: 25 Celsius	(1) ACD
pKa	3.82± 0.10	Okpomọkụ kachasị mma: 25 Celsius	(1) ACD
Uzuoku Nrụgide	2.02 x 10-16 Torr	Okpomọkụ: 25 Celsius C	(1) ACD

Njupụta

Ngwongwo	Uru	Ọnọdụ	Isi mmalite
Njupụta	1.84±0.1 g/cm3	Okpomọkụ: 20 °C; Pịa: 760 Torr	(1) ACD
Olu Molar	152.5± 7.0 cm3 / mol	Okpomọkụ: 20 °C; Pịa: 760 Torr	(1) ACD

Lipinski

Ngwongwo	Uru	Isi mmalite ọnọdụ
Nkwekọrịta na-agbanwe agbanwe n'efu	5	(1) ACD
H Ndị nnabata	9	(1) ACD
H Ndị na-enye onyinye	4	(1) ACD

Ngwongwo	Uru	Ọnọdụ	Isi mmalite
H Donor/Anabata Nchikota	13		(1) ACD
logP	0.697± 0.596	Okpomọkụ: 25 Celsius C	(1) ACD
Ibu molekụla	281.27

Ọdịdị metụtara

Ngwongwo	Uru	Isi mmalite ọnọdụ
Mpaghara elu elu	129 A2	(1) ACD

Thermal

Ngwongwo	Uru	Ọnọdụ	Isi mmalite
Ebe esi nri	623.8± 65.0 Celsius	Pịa: 760 Torr	(1) ACD
Enthalpy nke Vaporization	97.11± 3.0 kJ/mol	Pịa: 760 Torr	(1) ACD
Ebe mgbari	331.0± 34.3 Celsius C		(1) ACD