 Home > Encyclopedia > [2-[(3S,5S,8R,9S,10R,13R,14S,17S)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate

[2-[(3S,5S,8R,9S,10R,13R,14S,17S)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate

[2-[(3S,5S,8R,9S,10R,13R,14S,17S)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate structure

CAS No:
19886-64-7
Formula:
C27H39IO9
Chemical Name:
[2-[(3S,5S,8R,9S,10R,13R,14S,17S)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate
Synonyms:
19886-64-7;DTXSID80941740;3-beta,5,14,19,21-Pentahydroxy-5-beta,14-beta-pregnan-20-one 3,19-diacetate 21-(iodoacetate);5-beta,14-beta-Pregnan-20-one, 3-beta,5,14,19,21-pentahydroxy-, 3,19-diacetate 21-(iodoacetate);5,14-Dihydroxy-21-[(iodoacetyl)oxy]-20-oxopregnane-3,19-diyl diacetate

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[2-[(3S,5S,8R,9S,10R,13R,14S,17S)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate Basic Attributes

Molecular Weight：

634.5 g/mol

Exact Mass：

634.16388 g/mol

Characteristics

PSA：

136 Å²

Computed Properties

Molecular Weight:634.5
XLogP3:2.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:10
Exact Mass:634.16388
Monoisotopic Mass:634.16388
Topological Polar Surface Area:136
Heavy Atom Count:37
Complexity:954
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [2-[(3S,5S,8R,9S,10R,13R,14S,17S)-3-acetyloxy-10-(acetyloxymethyl)-5,14-dihydroxy-13-methyl-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 2-iodoacetate

Basic Attributes
Characteristics
Computed Properties
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