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Vitamin D3 | 67-97-0

Product name:Vitamin D3

CAS No:67-97-0
MF:C27H44O
MW:384.6377
MDL:MFCD00078131
CID:33875
PubChem ID:24893192
Introduction
Vitamin D3 (cholecalciferol; colecalciferol) is a naturally occurring form of vitamin D, which can induce cell differentiation and cancer cell proliferation after metabolic activation
Names and Identifiers
  • Vitamin D3
  • 9,10-Secocholesta-5,7,10(19)-trien-3beta-ol
  • Cholecalciferol, USP Grade 9,10-Secocholesta-5,7,19(19)-trien-3-OL-(3B,5Z,7E)-choleciferol, USP Grade
  • colecalciferol
  • VitaminD
  • Cholecalciferol
  • 7-dehydrogenase cholesterol
  • Cholecalciferol (D3)
  • Availability
  • Cholecalciferol (Vitamin D3)
  • Cholecalciferol Solution
  • Vitamin D3 solution
  • VITAMIN D3(CHOLECALCIFEROL)(AS)
  • VITAMIN D3(CHOLECALCIFEROL)(RG) PrintBack
  • VITAMIN D3, USP
  • VITAMIN E ACETATE(DL-a-TOCOPHEROL ACETATE)(P)
  • (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(1R)-1,5-dimethylhexyl]octahydro-7a-methyl-4H-inden-4-ylidene]ethylidene]-4-methylenecyclohexanol
  • (5Z,7E)-(3S)-9,10-secocholesta-5,7,10(19)-trien-3-ol
  • [3H]-Vitamin D3
  • 7-Dehydrocholesterol
  • CALCIOL
  • Deparal
  • Devaron
  • Ebivit
  • FeraCol
  • MC 1275
  • Oxarol
  • Prezios
  • rampage
  • Vi-De3
  • vitamin D3 powder
  • 7-Dehydrocholesterol, activated
  • VITAMIN D
  • Oleovitamin D3
  • Ricketon
  • Trivitan
  • Arachitol
  • Vigorsan
  • Activated 7-dehydrocholesterol
  • Colecalcipherol
  • Delsterol
  • Quintox
  • Colecalciferolum
  • Cholecalciferolum
  • (+)-Vitamin D3
  • D3-Vicotrat
  • D3-Vigantol
  • vitamin d-3
  • Vi-de-3-hydrosol
  • NEO Dohyfral D3
  • Vitinc Dan-Dee-3
  • Cholecalciferol, D3
  • Vigantol
  • Colecalciferolo [DCIT]
  • Duphafral D3 1000
  • Colecalciferolum [INN-Latin]
  • 7-Dehydrocholestrol
  • Cholecalciferol for system suitability
  • MDL:MFCD00078131
  • InChIKey:QYSXJUFSXHHAJI-YRZJJWOYSA-N
  • Inchi:1S/C27H44O/c1-19(2)8-6-9-21(4)25-15-16-26-22(10-7-17-27(25,26)5)12-13-23-18-24(28)14-11-20(23)3/h12-13,19,21,24-26,28H,3,6-11,14-18H2,1-2,4-5H3/b22-12+,23-13-/t21-,24+,25-,26+,27-/m1/s1
  • SMILES:O([H])[C@@]1([H])C([H])([H])C([H])([H])C(=C([H])[H])/C(/C1([H])[H])=C(/[H])\C(\[H])=C1/C([H])([H])C([H])([H])C([H])([H])[C@@]2(C([H])([H])[H])[C@@]/1([H])C([H])([H])C([H])([H])[C@]2([H])[C@]([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])C([H])(C([H])([H])[H])C([H])([H])[H]
  • BRN:2339331
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 384.6g/mol
  • Surface Charge: 0
  • XLogP3: 7.9
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 1
  • Rotatable Bond Count: 6
  • Monoisotopic Mass: 384.339216g/mol
  • Monoisotopic Mass: 384.339216g/mol
  • Topological Polar Surface Area: 20.2Ų
  • Heavy Atom Count: 28
  • Complexity: 610
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 5
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • Surface Charge: 0

Experimental Properties

  • Odor: ODORLESS
  • Stability Shelf Life: Oxidized and inactivated by moist air within few days.
  • LogP: 7.61900
  • PSA: 20.23000
  • Merck: 10019
  • Refractive Index: 1.5100 (estimate)
  • Water Partition Coefficient: <0.1G/L(20ºC)
  • Boiling Point: 451.27°C (rough estimate)
  • Flash Point: Fahrenheit: 57.2 ° f
    Celsius: 14 ° c
  • Color/Form: 1 mg/mL in ethanol
  • Solubility: Soluble in alcohol, ether, acetone, chloroform and vegetable oil, insoluble in water (<0.1 g/l, 20 º C)
  • Sensitiveness: Air & Light Sensitive
  • Specific Rotation: 105º(C=0.8,ETOH25ºC)
  • Density: 0.9717 (rough estimate)
  • Odor: ODORLESS
Security Information
  • Symbol: GHS06 GHS08
  • RTECS:VS2900000
  • WGK Germany:2
  • Safety Term:6.1
  • Safety Instruction:S28-S36/37-S45-S28A
  • Packing Group:II
  • Risk Phrases:R24/25; R26; R48/25
  • Dangerous goods sign: T+ T+
  • Hazardous Material transportation number:UN 2811 6.1/PG 2
  • Hazard Statement:H301,H311,H330,H372
  • Warning Statement:P260,P280,P284,P301+P310,P310
  • Prompt:dangerous
  • Storage Condition:4°C, protect from light, stored under nitrogen
  • PackingGroup:II
  • Hazard Category Code:24/25-26-48/25
  • Signal Word:Danger
  • TSCA:Yes
  • HazardClass:6.1
  • FLUKA BRAND F CODES:8-10-23
Customs Data
  • HS CODE:2936240000
  • Customs Data:

    China Customs Code:

    2936240000
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