2-[nitroso-[4-[(3R,7R,12S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid

2-[nitroso-[4-[(3R,7R,12S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid 基本信息
CAS号 76757-85-2 分子式 C26H42N2O7
分子量 494.62100 精确质量  494.29900
PSA  147.73000 LogP  2.95870

基本信息 展开↓

CAS号:
76757-85-2
3D弹球模型:
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分子式:
C26H42N2O7
分子量:
494.62100
中文名称:
2-[nitroso-[4-[(3R,7R,12S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
英文名称:
2-[nitroso-[4-[(3R,7R,12S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
中文别名:
2-[nitroso-[4-[(3R,7R,12S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid
英文别名:
2-[nitroso-[4-[(3R,7R,12S)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid;
GLYCINE,N-CHOLOYL-N-NITROSO;
N-Nitrosoglycocholic acid
精确分子量/精确质量:
494.29900
极性分子表面积/PSA:
147.73000
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: IWZAMXSNVROOQA-FRVQLJSFSA-N

毒理性展开↓

CHEMICAL IDENTIFICATION

RTECS NUMBER :
MB9266000
CHEMICAL NAME :
Glycine, N-choloyl-N-nitroso-
CAS REGISTRY NUMBER :
76757-85-2
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C26-H42-N2-O7
MOLECULAR WEIGHT :
494.70
WISWESSER LINE NOTATION :
L E5 B666TJ A1 DQ E1 FY1&2VNVQNO KQ OQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in mammalian somatic cells
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
50 nmol/L
REFERENCE :
CNREA8 Cancer Research. (Public Ledger Building, Suit 816, 6th & Chestnut Sts., Philadelphia, PA 19106) V.1- 1941- Volume(issue)/page/year: 42,2601,1982

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