 Home > Encyclopedia > 1-(2-chloroethyl)-3-[[(3S,7R,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]methyl]-1-nitrosourea

1-(2-chloroethyl)-3-[[(3S,7R,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]methyl]-1-nitrosourea

1-(2-chloroethyl)-3-[[(3S,7R,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]methyl]-1-nitrosourea structure

CAS No:
164120-29-0
Formula:
C31H52ClN3O3
Chemical Name:
1-(2-chloroethyl)-3-[[(3S,7R,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]methyl]-1-nitrosourea

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1-(2-chloroethyl)-3-[[(3S,7R,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]methyl]-1-nitrosourea Basic Attributes

Molecular Weight：

550.21600

Exact Mass：

549.3697202

Characteristics

PSA：

85.49000

XLogP3：

7.75100

Density：

1.23g/cm3

Refractive Index：

1.602

Computed Properties

Molecular Weight:550.2
XLogP3:8.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:9
Exact Mass:549.3697202
Monoisotopic Mass:549.3697202
Topological Polar Surface Area:82
Heavy Atom Count:38
Complexity:880
Defined Atom Stereocenter Count:6
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-(2-chloroethyl)-3-[[(3S,7R,10R,13R,17R)-3-hydroxy-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-7-yl]methyl]-1-nitrosourea

Basic Attributes
Characteristics
Computed Properties

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