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tert-butyl 2-[[2-(benzhydryloxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetate

tert-butyl 2-[[2-(benzhydryloxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetate structure

CAS No:
13342-45-5
Formula:
C42H42N2O5S
Chemical Name:
tert-butyl 2-[[2-(benzhydryloxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetate
Synonyms:
tert-butyl n-[(diphenylmethoxy)carbonyl]-s-tritylcysteinylglycinate;

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tert-butyl 2-[[2-(benzhydryloxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetate Basic Attributes

Molecular Weight：

686.85800

Exact Mass：

686.28144362 g/mol

NSC Number：

129868

DSSTox ID：

DTXSID10299382

Characteristics

PSA：

119.03000

XLogP3：

8.83580

Density：

1.194g/cm3

Boiling Point：

807ºC

Flash Point：

441.8ºC

Refractive Index：

1.605

Vapor Pressure：

4.39E-26mmHg at 25°C

Computed Properties

Molecular Weight:686.9
XLogP3:8.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:16
Exact Mass:686.28144362
Monoisotopic Mass:686.28144362
Topological Polar Surface Area:119
Heavy Atom Count:50
Complexity:983
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of tert-butyl 2-[[2-(benzhydryloxycarbonylamino)-3-tritylsulfanylpropanoyl]amino]acetate

Basic Attributes
Characteristics
Computed Properties
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