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(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-dimethyl-1,3-diazepan-2-one

(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-dimethyl-1,3-diazepan-2-one structure

CAS No:
153181-38-5
Formula:
C21H26N2O3
Chemical Name:
(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-dimethyl-1,3-diazepan-2-one
Synonyms:
(4R-(4alpha,5alpha,6beta,7beta))-Hexahydro-5,6-dihydroxy-1,3-dimethyl-4,7-bis(phenylmethyl)-2H-1,3-diazepin-2-one; 2H-1,3-Diazepin-2-one,hexahydro-5,6-dihydroxy-1,3-dimethyl-4,7-bis(phenylmethyl)-,(4R,5S,6S,7R); Cyclic Urea 3;

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(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-dimethyl-1,3-diazepan-2-one Basic Attributes

Molecular Weight：

354.44300

Exact Mass：

354.19434270 g/mol

DSSTox ID：

DTXSID20165241

Characteristics

PSA：

64.01000

XLogP3：

1.80380

Density：

1.208g/cm3

Boiling Point：

539ºC

Flash Point：

274.9ºC

Refractive Index：

1.606

Vapor Pressure：

4.24E-12mmHg at 25°C

Computed Properties

Molecular Weight:354.4
XLogP3:2.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:354.19434270
Monoisotopic Mass:354.19434270
Topological Polar Surface Area:64
Heavy Atom Count:26
Complexity:420
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-dimethyl-1,3-diazepan-2-one

Basic Attributes
Characteristics
Computed Properties

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