C13H19N5O6 Guanosine, 2′-O-(2-methoxyethyl)- (9CI, ACI) Gambar Unggul

C13H19N5O6 Guanosin, 2′-O-(2-metoxyethyl)- (9CI, ACI)

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Nomer pendaptaran CAS

473278-54-5

Sipat fisik konci	Nilai	Kaayaan
Beurat Molekul	341.32	-
Titik didih (diprediksi)	715,0±70,0 °C	Pencét: 760 Torr
Kapadetan (diprediksi)	1,81±0,1 g/cm3	Suhu: 20 °C;Pencét: 760 Torr
pKa (diprediksi)	13.20±0.70	Suhu Paling Asam: 25 °C

Ngaran séjén sarta Identifiers

SMILES Canonical

O=C1N=C(N)NC2=C1N=CN2C3OC(CO)C(O)C3OCCOC

Isomerik SMILES

O(CCOC)[C@H]1[C@@H](O[C@H](CO)[C@H]1O)N2C3=C(N=C2)C(=O)N=C( N) N3

InChI

InChI= 1S/C13H19N5O6/c1-22-2-3-23-9-8(20)6(4-19)24-12(9)18-5-15-7-10(18)16-13( 14)17-11(7)21/h5-6,8-9,12,19-20H,2-4H2,1H3,(H3, 14,16,17,21)/t6-,8-,9- ,12-/m1/s1

InChI Key

DLLBJSLIKOKFHE-WOUKDFQISA-N

1 Ngaran séjén pikeun Zat ieu

2'-O-(2-Methoxyethyl)guanosine (ACI)

Pasipatan sadia
Optik jeung Paburencay
Termal

Optik jeung Scatering

Harta	Nilai	Kaayaan	Sumber
Daya Rotatory optik	-51 deg-mL/g-dm	c: 1,4 g / 100ml;Pangleyur: Diklorometana;λ: 589,3 nm;Suhu: 25 °C	(1) CAS
Daya Rotatory optik	Tempo téks lengkep		(2) CAS

(1) Wen, Ke;Jurnal Kimia Organik, (2002), 67(22), 7887-7889, CAplus

(2) Wen, Ke;Jurnal Kimia Organik, (2002), 67(22), 7887-7889, CAplus

Termal

Harta	Nilai	Sumber Kaayaan
Titik lebur	Tempo téks lengkep	(1) CAS

(1) Taj, Shabbir Ali S.;Nukléosida, Nukléotida & Asam Nukléat, (2008), 27(9), 1024-1033, CAplus

Spéktra ékspérimén

Spéktra sadia
1 H NMR
13 C NMR
IR

Pasipatan diprediksi

Pasipatan sadia
Biologis
Kimia
Kapadetan
Lipinski
Struktur Patali
Termal

Biologis

Harta	Nilai	Kaayaan	Sumber
Faktor Biokonsentrasi	1.0	pH 1;Suhu: 25 °C	(1) ACD
Faktor Biokonsentrasi	1.0	pH 2;Suhu: 25 °C	(1) ACD
Faktor Biokonsentrasi	1.0	pH 3;Suhu: 25 °C	(1) ACD
Faktor Biokonsentrasi	1.0	pH 4;Suhu: 25 °C	(1) ACD

Harta	Nilai	Kaayaan	Sumber
Faktor Biokonsentrasi	1.0	pH 5;Suhu: 25 °C	(1) ACD
Faktor Biokonsentrasi	1.0	pH 6;Suhu: 25 °C	(1) ACD
Faktor Biokonsentrasi	1.0	pH 7;Suhu: 25 °C	(1) ACD
Faktor Biokonsentrasi	1.0	pH 8;Suhu: 25 °C	(1) ACD
Faktor Biokonsentrasi	1.0	pH 9;Suhu: 25 °C	(1) ACD
Faktor Biokonsentrasi	1.0	pH 10;Suhu: 25 °C	(1) ACD

Kimia

Harta	Nilai	Kaayaan	Sumber
Koc	1.0	pH 1;Suhu: 25 °C	(1) ACD
Koc	1.0	pH 2;Suhu: 25 °C	(1) ACD
Koc	4.27	pH 3;Suhu: 25 °C	(1) ACD
Koc	8.49	pH 4;Suhu: 25 °C	(1) ACD
Koc	9.43	pH 5;Suhu: 25 °C	(1) ACD
Koc	9.54	pH 6;Suhu: 25 °C	(1) ACD
Koc	9.55	pH 7;Suhu: 25 °C	(1) ACD
Koc	9.55	pH 8;Suhu: 25 °C	(1) ACD
Koc	9.55	pH 9;Suhu: 25 °C	(1) ACD
Koc	9.54	pH 10;Suhu: 25 °C	(1) ACD
logD	-2.65	pH 1;Suhu: 25 °C	(1) ACD
logD	-1.84	pH 2;Suhu: 25 °C	(1) ACD
logD	-1.08	pH 3;Suhu: 25 °C	(1) ACD
logD	-0.78	pH 4;Suhu: 25 °C	(1) ACD
logD	-0.74	pH 5;Suhu: 25 °C	(1) ACD
logD	-0.73	pH 6;Suhu: 25 °C	(1) ACD
logD	-0.73	pH 7;Suhu: 25 °C	(1) ACD
logD	-0.73	pH 8;Suhu: 25 °C	(1) ACD
logD	-0.73	pH 9;Suhu: 25 °C	(1) ACD
logD	-0.73	pH 10;Suhu: 25 °C	(1) ACD
logP	-0,730±0,568	Suhu: 25 °C	(1) ACD
Kalarutan Intrinsik Massa	0,44 g/L	Suhu: 25 °C	(1) ACD
Massa kaleyuran	38 g/L	pH 1;Suhu: 25 °C	(1) ACD
Massa kaleyuran	5,5 g/L	pH 2;Suhu: 25 °C	(1) ACD

Harta	Nilai	Kaayaan	Sumber
Massa kaleyuran	0,96 g/L	pH 3;Suhu: 25 °C	(1) ACD
Massa kaleyuran	0,48 g/L	pH 4;Suhu: 25 °C	(1) ACD
Massa kaleyuran	0,44 g/L	pH 5;Suhu: 25 °C	(1) ACD
Massa kaleyuran	0,44 g/L	pH 6;Suhu: 25 °C	(1) ACD
Massa kaleyuran	0,44 g/L	pH 7;Suhu: 25 °C	(1) ACD
Massa kaleyuran	0,44 g/L	pH 8;Suhu: 25 °C	(1) ACD
Massa kaleyuran	0,44 g/L	pH 9;Suhu: 25 °C	(1) ACD
Massa kaleyuran	0,44 g/L	pH 10;Suhu: 25 °C	(1) ACD
Massa kaleyuran	0,44 g/L	Cai Unbuffered pH 7,20;Suhu: 25 °C	(1) ACD
Kalarutan Intrinsik Molar	1,3 x 10-3 mol / L	Suhu: 25 °C	(1) ACD
Kalarutan molar	0,11 mol / L	pH 1;Suhu: 25 °C	(1) ACD
Kalarutan molar	0,016 mol / L	pH 2;Suhu: 25 °C	(1) ACD
Kalarutan molar	2,8 x 10-3 mol/L	pH 3;Suhu: 25 °C	(1) ACD
Kalarutan molar	1,4 x 10-3 mol / L	pH 4;Suhu: 25 °C	(1) ACD
Kalarutan molar	1,3 x 10-3 mol / L	pH 5;Suhu: 25 °C	(1) ACD
Kalarutan molar	1,3 x 10-3 mol / L	pH 6;Suhu: 25 °C	(1) ACD
Kalarutan molar	1,3 x 10-3 mol / L	pH 7;Suhu: 25 °C	(1) ACD
Kalarutan molar	1,3 x 10-3 mol / L	pH 8;Suhu: 25 °C	(1) ACD
Kalarutan molar	1,3 x 10-3 mol / L	pH 9;Suhu: 25 °C	(1) ACD
Kalarutan molar	1,3 x 10-3 mol / L	pH 10;Suhu: 25 °C	(1) ACD
Kalarutan molar	1,3 x 10-3 mol / L	Cai Unbuffered pH 7,20;Suhu: 25 °C	(1) ACD
Beurat Molekul	341.32
pKa	13.20±0.70	Suhu Paling Asam: 25 °C	(1) ACD
pKa	3.00±0.20	Suhu Dasar: 25 °C	(1) ACD
Tekanan uap	1,86 x 10-21 Torr	Suhu: 25 °C	(1) ACD

Kapadetan

Harta	Nilai	Kaayaan	Sumber
Kapadetan	1,81±0,1 g/cm3	Suhu: 20 °C;Pencét: 760 Torr	(1) ACD
Volume Molar	188,5±7,0 cm3/mol	Suhu: 20 °C;Pencét: 760 Torr	(1) ACD

Lipinski

Harta	Nilai	Kaayaan	Sumber
Bébas Rotatable Beungkeut	8		(1) ACD
H Akséptor	11		(1) ACD
H Donor	5		(1) ACD
H Donor / Akséptor Jumlah	16		(1) ACD
logP	-0,730±0,568	Suhu: 25 °C	(1) ACD
Beurat Molekul	341.32

Struktur Patali

Harta	Nilai	Sumber Kaayaan
Wewengkon Permukaan Polar	153 A2	(1) ACD

Termal

Harta	Nilai	Kaayaan	Sumber
Titik didih	715,0±70,0 °C	Pencét: 760 Torr	(1) ACD
Éntalpi Nguap	109,72±3,0 kJ/mol	Pencét: 760 Torr	(1) ACD
Titik kaingetan	386,2±35,7 °C		(1) ACD