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ATOCALCITOL

ATOCALCITOL structure

CAS No:
302904-82-1
Formula:
C32H46O4
Chemical Name:
ATOCALCITOL
Synonyms:
ATOCALCITOL;(1S,3R,5Z,7E,20R)-20-(3-(2-Hydroxypropan-2-yl)benzyloxymethyl)-9,10-secopregna-5,7,10(19)-triene-1alpha,3beta-diol;1,3-Cyclohexanediol,4-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-1-[(1R)-2-[[3-(1-hydroxy-1-Methylethyl)phenyl]Methoxy]-1-Methylethyl]-7a-Methyl-4H-inden-4-ylidene]ethylidene]-,(1R,3S,5Z)-;(1R,3S,5Z)-5-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-1-[[3-(2-hydroxypropan-2-yl)phenyl]methoxy]propan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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ATOCALCITOL Basic Attributes

Molecular Weight：

494.71

Exact Mass：

494.34000

UNII：

PR3292R3H7

Characteristics

PSA：

69.92000

XLogP3：

6.20770

Density：

1.12g/cm3

Boiling Point：

636.3ºC at 760mmHg

Flash Point：

338.6ºC

Refractive Index：

1.579

Computed Properties

Molecular Weight:494.7
XLogP3:4.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:494.33960994
Monoisotopic Mass:494.33960994
Topological Polar Surface Area:69.9
Heavy Atom Count:36
Complexity:841
Defined Atom Stereocenter Count:6
Defined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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CAS No.: 302904-82-1

Grade: Industrial Grade

Content: 99%

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