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dethiosecoemestrin

dethiosecoemestrin structure

CAS No:
104799-51-1
Formula:
C27H20N2O10
Chemical Name:
dethiosecoemestrin
Synonyms:
dethiosecoemestrin

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dethiosecoemestrin Basic Attributes

Molecular Weight：

532.4551

Exact Mass：

532.112

DSSTox ID：

DTXSID50146745

Characteristics

PSA：

149

XLogP3：

1.6

Density：

1.58g/cm3

Boiling Point：

755.1ºC at 760mmHg

Flash Point：

410.5ºC

Refractive Index：

1.71

Vapor Pressure：

1.35E-23mmHg at 25°C

Drug Information

MeSH Entry Terms：

dethiosecoemestrin

Computed Properties

Molecular Weight:532.5
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:7
Exact Mass:532.11179484
Monoisotopic Mass:532.11179484
Topological Polar Surface Area:149
Heavy Atom Count:39
Complexity:1150
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of dethiosecoemestrin

Basic Attributes
Characteristics
Drug Information
Computed Properties

dethiosecoemestrin

SDS

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