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5-ALPHA-PREGNAN-3-ALPHA,11-BETA,17,21-TETROL-20-ONE3,21-DIACETATE

5-ALPHA-PREGNAN-3-ALPHA,11-BETA,17,21-TETROL-20-ONE3,21-DIACETATE structure

CAS No:
4004-70-0
Formula:
C25H38O7
Chemical Name:
5-ALPHA-PREGNAN-3-ALPHA,11-BETA,17,21-TETROL-20-ONE3,21-DIACETATE
Synonyms:
UNII-47150L7IUL;47150L7IUL;Allopregnane-3alpha,11beta,17alpha,21-tetrol-20-one 3,21-diacetate;5alpha-Pregnan-3alpha,11beta,17,21-tetrol-20-one 3,21-diacetate;ZINC25558133;AKOS024420953;Allopregnane-3alpha,11beta,17alpha,21-tetrol-20-one 3,21-diacetate [MI];Pregnan-20-one, 3,21-bis(acetyloxy)-11,17-dihydroxy-, (3alpha,5alpha,11beta)-;Q27258986;(3alpha,5alpha,11beta)-21-(acetyloxy)-11,17-dihydroxy-20-oxopregnan-3-yl acetate

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5-ALPHA-PREGNAN-3-ALPHA,11-BETA,17,21-TETROL-20-ONE3,21-DIACETATE Basic Attributes

Molecular Weight：

450.57

Exact Mass：

450.262

UNII：

47150L7IUL

Characteristics

PSA：

110

XLogP3：

3.1

Density：

1.23±0.1 g/cm3(Predicted)

Melting Point：

203-205 °C

Computed Properties

Molecular Weight:450.6
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:450.26175355
Monoisotopic Mass:450.26175355
Topological Polar Surface Area:110
Heavy Atom Count:32
Complexity:795
Defined Atom Stereocenter Count:9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 5-ALPHA-PREGNAN-3-ALPHA,11-BETA,17,21-TETROL-20-ONE3,21-DIACETATE

Basic Attributes
Characteristics
Computed Properties

5-ALPHA-PREGNAN-3-ALPHA,11-BETA,17,21-TETROL-20-ONE3,21-DIACETATE

SDS

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