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N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester

N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester structure

CAS No:
124832-31-1
Formula:
C21H26N6O6
Chemical Name:
N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester
Synonyms:
L-Valine,N-[(phenylmethoxy)carbonyl]-,2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester;N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester;(S)-2-((2-Imino-6-oxo-2,3-dihydro-1H-purin-9(6H)-yl)methoxy)ethyl 2-(((benzyloxy)carbonyl)amino)-3-methylbutanoate;1254172-19-4
Categories:
Analytical Chemistry > Analysis Reagents

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N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester Basic Attributes

Molecular Weight：

458.47

Exact Mass：

458.47

EC Number：

1312995-182-4

UNII：

D5326179KU

HScode：

2933599550

Characteristics

PSA：

159

XLogP3：

2.14220

Density：

1.42±0.1 g/cm3(Predicted)

Refractive Index：

1.644

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

Precautionary statement(s)：

P201, P202, P231+P232, P261, P264, P271, P272, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P370+P378, P402+P404, P403+P233, P405, P501

Hazard Statements：

H261

GHS Classification：

|Warning|H261 (50%): In contact with water releases flammable gas [Danger Substances and mixtures which in contact with water, emit flammable gases]|P201, P202, P231+P232, P261, P264, P271, P272, P280, P281, P302+P352, P304+P340, P305+P351+P338, P308+P313, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P370+P378, P402+P404, P403+P233, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Computed Properties

Molecular Weight:458.5
XLogP3:1.3
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:12
Exact Mass:458.19138257
Monoisotopic Mass:458.19138257
Topological Polar Surface Area:159
Heavy Atom Count:33
Complexity:726
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester

Basic Attributes
Characteristics
Safety Information
Computed Properties
Learn More Other Chemicals

N-[(Phenylmethoxy)carbonyl]-L-valine 2-[(2-amino-1,6-dihydro-6-oxo-9H-purin-9-yl)methoxy]ethyl ester

SDS

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