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甘胆酸水合物

CAS 475-31-0C26H43NO6MW 465.6

甘胆酸水合物（CAS 475-31-0）：分子式 C26H43NO6、分子量 465.6。

产品概览

CAS号475-31-0
分子式C26H43NO6
分子量465.6
熔点166.5
LogP1.65

技术档案

这个产品是什么

甘胆酸水合物 是一种化工化合物，登记 CAS 号为 475-31-0，分子式 C26H43NO6（分子量 465.6）。

识别信息

登记 CAS 号：475-31-0

其分子式 C26H43NO6 由 26 个碳、43 个氢、1 个氮、6 个氧 组成。

别名/同义词：甘胆酸水合物 · glycocholic acid hydrate

常见问题

甘胆酸水合物 的 CAS 号是多少？

甘胆酸水合物 的 CAS 登记号为 475-31-0。

甘胆酸水合物 的分子式与分子量是多少？

分子式 C26H43NO6，分子量 465.6。

甘胆酸水合物 还有哪些别名？

别名/同义词：甘胆酸水合物、glycocholic acid hydrate。

PubChem 公开数据

甘胆酸水合物（CAS 475-31-0）的独立参考数据，整理自公开化学数据库。

各数据库的登记标识

CAS Registry Number475-31-0
PubChem CID10140
Molecular formulaC26H43NO6
IUPAC name2-[[(4R)-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-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
UNII (FDA)G59NX3I3RT

计算分子描述符

Molecular Weight465.6
XLogP32.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass465.30903809
Monoisotopic Mass465.30903809
Topological Polar Surface Area127
Heavy Atom Count33

在册的理化数值

Melting Point166.5
Melting Point170 °C
Solubility3.3
Solubility0.0033 mg/mL
LogP1.65
Collision Cross Section202.5 Ų [M+Na]+
Collision Cross Section218.6 Ų [M-H]-
Collision Cross Section202.2 Ų [M-H]-
Collision Cross Section208.4 Ų [M+K]+
Collision Cross Section199.7 Ų [M+H]+

在册的记载用途

    Main constituent of the bile of herbivorous animals; [Merck Index] Functions as a detergent to solubilize fats for absorption and is absorbed itself; [ChemIDplus] Used as a Ph control agent for foods; [FDA]Gastrointestinal agents that stimulate the flow of bile into the duodenum (cholagogues) or stimulate the production of bile by the liver (choleretic).

    同义词与商品名

    Glycocholic acid; 475-31-0; Cholylglycine; N-Choloylglycine; DTXSID2047436; G59NX3I3RT; DTXCID0027436; CHEBI:17687; Glycine, N-((3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl)-; N-(3Alpha,7Alpha,12Alpha-trihydroxy-5Beta-cholan-24-oyl)-glycine; N-((3alpha,5beta,7alpha,12alpha)-3,7,12-Trihydroxy-24-oxocholan-24-yl)glycine; N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]glycine; Glycine, N-[(3alpha,5beta,7alpha,12alpha)-3,7,12-trihydroxy-24-oxocholan-24-yl]-; RefChem:389020; 207-494-9; glycocholate

    已收录的法规名录

    Regulatory & Food ContactFDA Substance added to food: PH CONTROL AGENT

    GHS 危害分类

    Reported hazard statementsH315 (100%), H319 (100%)

    H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

    H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

    公开数据库对它的描述

    glycocholic acid hydrate · CAS 475-31-0 · C26H43NO6. UNII G59NX3I3RT. Melting Point: 166.5; Melting Point: 170 °C; Solubility: 3.3.

    物理形态与操作说明

    数据来源：PubChem / Wikidata；与随货 COA 不一致时以 COA 为准。

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