4-氨基-5-氰基-7-(beta-d-呋喃核糖)吡咯并[2,3-d]嘧啶

4-氨基-5-氰基-7-(beta-d-呋喃核糖)吡咯并[2,3-d]嘧啶 基本信息
CAS号 606-58-6 分子式 C12H13N5O4
分子量 291.26300 精确质量  291.09700
PSA  150.44000 LogP  -0.92212

基本信息 展开↓

CAS号:
606-58-6
3D弹球模型:
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分子式:
C12H13N5O4
分子量:
291.26300
中文名称:
4-氨基-5-氰基-7-(beta-d-呋喃核糖)吡咯并[2,3-d]嘧啶
英文名称:
4-AMINO-5-CYANO-7-(β-D-RIBOFURANOSYL)PYRROLO[2,3-D]PYRIMIDINE
中文别名:
4-氨基-5-氰基-7-(beta-d-呋喃核糖)吡咯并[2,3-d]嘧啶;
丰加霉素
英文别名:
4-AMINO-5-CYANO-7-(β-D-RIBOFURANOSYL)PYRROLO[2,3-D]PYRIMIDINE;
TOYOCAMYCIN;
vengicide;
siromycin;
a-399-y4;
unamycin-b;
e-212;
uramycinb;
7-Cyano-7-deazaadenosine;
e-212-1
精确分子量/精确质量:
291.09700
极性分子表面积/PSA:
150.44000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
InChI:
The Key: XOKJUSAYZUAMGJ-WOUKDFQISA-N

物化性质展开↓

密度:
1.91g/cm3
沸点:
721.1ºC at 760 mmHg
闪点:
389.9ºC
折射率:
1.849

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UY9100000
CHEMICAL NAME :
7H-Pyrrolo(2,3-d)pyrimidine-5-carbonitrile, 4-amino-7-beta-D-ribofuranosyl-
CAS REGISTRY NUMBER :
606-58-6
BEILSTEIN REFERENCE NO. :
0048454
LAST UPDATED :
199612
DATA ITEMS CITED :
8
MOLECULAR FORMULA :
C12-H13-N5-O4
MOLECULAR WEIGHT :
291.30
WISWESSER LINE NOTATION :
T56 BN GN INJ DCN FZ B- BT5OTJ CQ DQ E1Q

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
8 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
20 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
10 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value

MUTATION DATA

TYPE OF TEST :
Mutation test systems - not otherwise specified
TEST SYSTEM :
Rodent - mouse Leukocyte
DOSE/DURATION :
71 ug/L
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 30,481,1987

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