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(2,6-dioxo-3,7-dihydropurin-8-yl) 2-amino-3-(3H-indol-3-yl)propanoate

(2,6-dioxo-3,7-dihydropurin-8-yl) 2-amino-3-(3H-indol-3-yl)propanoate structure

CAS No:
52046-79-4
Formula:
C16H14N6O4
Chemical Name:
(2,6-dioxo-3,7-dihydropurin-8-yl) 2-amino-3-(3H-indol-3-yl)propanoate
Synonyms:
(3-(2-amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine;52046-79-4;(3-(2-Amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine;DTXSID00966415;2,6-Dihydroxy-9H-purin-8-yl 3-(3H-indol-3-yl)alaninate;3H-Indole-3-propanoic acid, alpha-amino-3-(2,3,6,7-tetrahydro-2,6-dioxo-1H-purin-8-yl)-

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(2,6-dioxo-3,7-dihydropurin-8-yl) 2-amino-3-(3H-indol-3-yl)propanoate Basic Attributes

Molecular Weight：

354.32 g/mol

Exact Mass：

354.10765295 g/mol

Characteristics

PSA：

152 Å²

XLogP3：

-0.1206

Drug Information

MeSH Entry Terms：

(3-(2-amino-2-carboxyethyl)-3-(8-xanthinyl))indolenine

Computed Properties

Molecular Weight:354.32
XLogP3:-0.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:5
Exact Mass:354.10765295
Monoisotopic Mass:354.10765295
Topological Polar Surface Area:152
Heavy Atom Count:26
Complexity:640
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (2,6-dioxo-3,7-dihydropurin-8-yl) 2-amino-3-(3H-indol-3-yl)propanoate

Basic Attributes
Characteristics
Drug Information
Computed Properties

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