(1R,2R,3R,5Z,7E)-2-(3-Hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol | CAS No. 104121-92-8

(1R,2R,3R,5Z,7E)-2-(3-Hydroxypropoxy)-9,10-secocholesta-5,7,10-triene-1,3,25-triol

Basic Information

CAS Number

104121-92-8

Molecular Formula

C30H50O5

Molecular Weight

490.73 g/mol

AD

Basic Physical Properties

Melting Point

126-128 ºC

CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(C(C(C3=C)O)OCCCO)O)C

InChI

InChI=1S/C30H50O5/c1-20(9-6-15-29(3,4)34)24-13-14-25-22(10-7-16-30(24,25)5)11-12-23-19-26(32)28(27(33)21(23)2)35-18-8-17-31/h11-12,20,24-28,31-34H,2,6-10,13-19H2,1,3-5H3/b22-11+,23-12-/t20-,24-,25+,26-,27-,28-,30-/m1/s1

InChIKey

FZEXGDDBXLBRTD-AYIMTCTASA-N

LogP

5.0822000000000065

Topological Polar Surface Area

90.15 Ų

Hydrogen Bond Donor/Acceptor

4 / 5

Complexity

784

Synonyms & References

English

  • (5Z,7E)-(1R,2R,3R)-2-(3-hydroxypropoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
  • (1R,2R,3R,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexane-1,3-diol
  • 2beta-(3-hydroxypropoxy)calcitriol
  • 2-(3-Hydroxypropoxy)calcitriol
  • NS00069600
  • CT-081
  • D07578
  • 104121-92-8
  • ED-71
  • EX-A5554
  • (1R,2R,3R,Z)-5-(2-((1R,3AS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2-(3-hydroxypropoxy)-4-methylenecyclohexane-1,3-diol
  • 9,10-Secocholesta-5,7,10(19)-triene-1,3,25-triol, 2-(3-hydroxypropoxy)-, (1alpha,2beta,3beta,5Z,7E)-
  • UNII-I2JP8UE90H
  • CHEMBL4297608
  • Eldecalcitol [INN]
  • AC-26354
  • GTPL2783
  • LMST03020477
  • Edirol
  • ELDECALCITOL [MART.]
  • 2-(3-Hydroxypropoxy)-1,25-dihydroxyvitamin D3
  • MS-29124
  • 1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)-cholecalciferol
  • ELDECALCITOL [WHO-DD]
  • Eldecalcitol (JAN/INN)
  • I2JP8UE90H
  • SCHEMBL5457151
  • CHEBI:73927
  • ELDECALCITOL [MI]
  • ELDECALCITOL [JAN]
  • (1r,2r,3r,5z,7e,14beta,17alpha)-2-(3-Hydroxypropoxy)-9,10-Secocholesta-5,7,10-Triene-1,3,25-Triol

MDL Number

MFCD25977156

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