 Home > Encyclopedia > (1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-(4-hydroxy-4-methylpentyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-(4-hydroxy-4-methylpentyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-(4-hydroxy-4-methylpentyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol structure

CAS No:
141300-55-2
Formula:
C26H42O3
Chemical Name:
(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-(4-hydroxy-4-methylpentyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Synonyms:
1alpha,25-Dihydroxy-21-norvitamin D3; 21-Nor-9,10-secocholesta-5,7,10(19)-triene-1,3,25-triol,(1alpha,3beta,5Z,7E); 1,25-(OH)2-Nord3; 1,25-Dihydroxy-21-norvitamin D3;

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(1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-(4-hydroxy-4-methylpentyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol Basic Attributes

Molecular Weight：

402.61000

Exact Mass：

402.31339520

Characteristics

PSA：

60.69000

XLogP3：

5.45870

Density：

1.07g/cm3

Boiling Point：

548.4ºC at 760mmHg

Flash Point：

233.3ºC

Refractive Index：

1.551

Vapor Pressure：

2.58E-14mmHg at 25°C

Drug Information

MeSH Entry Terms：

1,25-(OH)2-norD3

Computed Properties

Molecular Weight:402.6
XLogP3:4.8
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:402.31339520
Monoisotopic Mass:402.31339520
Topological Polar Surface Area:60.7
Heavy Atom Count:29
Complexity:688
Defined Atom Stereocenter Count:5
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (1R,3S,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-(4-hydroxy-4-methylpentyl)-3a,7a-dimethyl-1,2,3,5,6,7-hexahydroinden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol

Basic Attributes
Characteristics
Drug Information
Computed Properties

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