C11H15N5O4 Adenosin, 2′ -O-metil- (7CI, 8CI, 9CI, ACI)

Butiran Produk

Nombor Pendaftaran CAS

2140-79-6

SENYUM Canonical

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

SENYUMAN Isomerik

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/j3-5,7-8,11,17-18H,2H2,1H3,(H2,12,13,14)/t5-,7- ,8-,11-/m1/s1

Kunci InChI

FPUGCISOLXNPPC-IOSLPCCCSA-N

2 Nama Lain untuk Bahan ini

2′-O-Methyladenosine (ACI); Cordysinin B

Hartanah tersedia
terma

Harta benda	Nilai	Sumber Keadaan
Takat Lebur	204-206 °C	(1) CAS

(1) Martinez-Montero, Saul; Jurnal Kimia Organik Eropah, (2009)(19), 3265-3271, S3265/1-S3265/23, CAplus

Spektrum tersedia
1 H NMR
13 C NMR
IR
Mass

Hartanah tersedia
Biologi
bahan kimia
Ketumpatan
Lipinski
Berkaitan Struktur
terma

Sumber Keadaan Nilai Harta

Faktor Kepekatan Bio 1.99 pH 10; Suhu: 25 °C (1) ACD

Harta benda	Nilai	keadaan	Sumber
Koc	1.0	pH 1; Suhu: 25 °C	(1) ACD
Koc	1.0	pH 2; Suhu: 25 °C	(1) ACD
Koc	4.54	pH 3; Suhu: 25 °C	(1) ACD
Koc	26.0	pH 4; Suhu: 25 °C	(1) ACD
Koc	51.0	pH 5; Suhu: 25 °C	(1) ACD
Koc	56.4	pH 6; Suhu: 25 °C	(1) ACD
Koc	57.0	pH 7; Suhu: 25 °C	(1) ACD
Koc	57.1	pH 8; Suhu: 25 °C	(1) ACD
Koc	57.1	pH 9; Suhu: 25 °C	(1) ACD
Koc	57.0	pH 10; Suhu: 25 °C	(1) ACD
logD	-1.70	pH 1; Suhu: 25 °C	(1) ACD
logD	-1.25	pH 2; Suhu: 25 °C	(1) ACD
logD	-0.40	pH 3; Suhu: 25 °C	(1) ACD
logD	0.36	pH 4; Suhu: 25 °C	(1) ACD
logD	0.65	pH 5; Suhu: 25 °C	(1) ACD
logD	0.69	pH 6; Suhu: 25 °C	(1) ACD
logD	0.70	pH 7; Suhu: 25 °C	(1) ACD
logD	0.70	pH 8; Suhu: 25 °C	(1) ACD
logD	0.70	pH 9; Suhu: 25 °C	(1) ACD
logD	0.70	pH 10; Suhu: 25 °C	(1) ACD
logP	0.697±0.596	Suhu: 25 °C	(1) ACD
Keterlarutan Intrinsik Jisim	3.7 g/L	Suhu: 25 °C	(1) ACD
Keterlarutan Jisim	886 g/L	pH 1; Suhu: 25 °C	(1) ACD
Keterlarutan Jisim	309 g/L	pH 2; Suhu: 25 °C	(1) ACD
Keterlarutan Jisim	45 g/L	pH 3; Suhu: 25 °C	(1) ACD
Keterlarutan Jisim	7.9 g/L	pH 4; Suhu: 25 °C	(1) ACD
Keterlarutan Jisim	3.9 g/L	pH 5; Suhu: 25 °C	(1) ACD
Keterlarutan Jisim	3.7 g/L	pH 6; Suhu: 25 °C	(1) ACD
Keterlarutan Jisim	3.7 g/L	pH 7; Suhu: 25 °C	(1) ACD

Harta benda	Nilai	keadaan	Sumber
Keterlarutan Jisim	3.7 g/L	pH 8; Suhu: 25 °C	(1) ACD
Keterlarutan Jisim	3.7 g/L	pH 9; Suhu: 25 °C	(1) ACD
Keterlarutan Jisim	3.7 g/L	pH 10; Suhu: 25 °C	(1) ACD
Keterlarutan Jisim	3.7 g/L	Air Tidak Penampan pH 8.07; Suhu: 25 °C	(1) ACD
Keterlarutan Intrinsik Molar	0.013 mol/L	Suhu: 25 °C	(1) ACD
Keterlarutan Molar	3.15 mol/L	pH 1; Suhu: 25 °C	(1) ACD
Keterlarutan Molar	1.10 mol/L	pH 2; Suhu: 25 °C	(1) ACD
Keterlarutan Molar	0.16 mol/L	pH 3; Suhu: 25 °C	(1) ACD
Keterlarutan Molar	0.028 mol/L	pH 4; Suhu: 25 °C	(1) ACD
Keterlarutan Molar	0.014 mol/L	pH 5; Suhu: 25 °C	(1) ACD
Keterlarutan Molar	0.013 mol/L	pH 6; Suhu: 25 °C	(1) ACD
Keterlarutan Molar	0.013 mol/L	pH 7; Suhu: 25 °C	(1) ACD
Keterlarutan Molar	0.013 mol/L	pH 8; Suhu: 25 °C	(1) ACD
Keterlarutan Molar	0.013 mol/L	pH 9; Suhu: 25 °C	(1) ACD
Keterlarutan Molar	0.013 mol/L	pH 10; Suhu: 25 °C	(1) ACD
Keterlarutan Molar	0.013 mol/L	Air Tidak Penampan pH 8.07; Suhu: 25 °C	(1) ACD
Berat Molekul	281.27
pKa	13.13±0.70	Suhu Paling Berasid: 25 °C	(1) ACD
pKa	3.82±0.10	Suhu Paling Asas: 25 °C	(1) ACD
Tekanan Wap	2.02 x 10-16 Torr	Suhu: 25 °C	(1) ACD

Harta benda	Nilai	Sumber Keadaan
Kawasan Permukaan Kutub	129 A2	(1) ACD