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25-Hydroxyvitamin D

25-Hydroxyvitamin D structure

CAS No:
21343-40-8
Formula:
C28H44O2
Chemical Name:
25-Hydroxyvitamin D
Synonyms:
Cyclohexanol,4-methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4S)-5-hydroxy-1,4,5-trimethyl-2-hexenyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]-,(1S,3Z)-;9,10-Secoergosta-5,7,10(19),22-tetraene-3β,25-diol;9,10-Secoergosta-5,7,10(19),22-tetraene-3,25-diol,(3β,5Z,7E,22E)-;(1S,3Z)-4-Methylene-3-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R,2E,4S)-5-hydroxy-1,4,5-trimethyl-2-hexenyl]-7a-methyl-4H-inden-4-ylidene]ethylidene]cyclohexanol;25-Hydroxyergocalciferol;25-Hydroxyvitamin D2;25-Hydroxycalciferol;25-Hydroxyvitamin D;Ercalcidiol;21343-34-0;29864-49-1;50351-34-3
Categories:
Analytical Chemistry > Standard

Description

Ercalcidiol is a metabolite of vitamin D2, is regarded as an indicator of vitamin D nutritional status.

9,10-Secoergosta-5,7,10(19),22-tetraene-3,25-diol. Biologically active metabolite of vitamin D2 which is more active in curing rickets than its parent. The compound is believed to attach to the same receptor as vitamin D2 and 25-hydroxyvitamin D3.

25-Hydroxyvitamin D Basic Attributes

Molecular Weight：

412.65

Exact Mass：

412.65

EC Number：

200-578-6

DSSTox ID：

DTXSID00517562

Characteristics

PSA：

40.46000

XLogP3：

7.56

Density：

1.0±0.1 g/cm3

Melting Point：

45-51°C

Boiling Point：

542.3±38.0 °C at 760 mmHg

Flash Point：

14℃

Refractive Index：

1.543

Storage Conditions：

−20°C

Vapor Pressure：

5.06E-14mmHg at 25°C

Safety Information

Transport codes：

UN28116.1/PG2

wgk germany：

hazard class code：

24/25-26-48/25-11

safety instructions：

28-36/37-45-16-7

Marks：

T+,F

Precautionary statement(s)：

P210-P280-P305 + P351 + P338-P337 + P313-P403 + P235

Hazard Statements：

H225-H319

GHS Classification：

|Danger|H301+H311 (100%): Toxic if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal]|P260, P264, P270, P271, P280, P284, P301+P310, P302+P352, P304+P340, P310, P312, P314, P320, P321, P322, P330, P361, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH：

Agents that inhibit BONE RESORPTION and/or favor BONE MINERALIZATION and BONE REGENERATION. They are used to heal BONE FRACTURES and to treat METABOLIC BONE DISEASES such as OSTEOPOROSIS. (See all compounds classified as Bone Density Conservation Agents.)|Organic substances that are required in small amounts for maintenance and growth, but which cannot be manufactured by the human body. (See all compounds classified as Vitamins.)

MeSH Entry Terms：

25 Hydroxycalciferol

25-Hydroxyvitamin D Use and Manufacturing

A metabolite of Vitamin D2 (V676040).

Computed Properties

Molecular Weight:412.6
XLogP3:6
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:412.334130642
Monoisotopic Mass:412.334130642
Topological Polar Surface Area:40.5
Heavy Atom Count:30
Complexity:725
Defined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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