 Home > Encyclopedia > barium(2+);[(2R,3S,4R,5R)-5-[6-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate

barium(2+);[(2R,3S,4R,5R)-5-[6-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate

barium(2+);[(2R,3S,4R,5R)-5-[6-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate structure

CAS No:
49709-17-3
Formula:
C15H19BaN6O11P
Chemical Name:
barium(2+);[(2R,3S,4R,5R)-5-[6-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate
Synonyms:
N-((9-beta-ribofuranosyl-9H-purin-6-yl)carbamoyl)threonine;N-(purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate;pt(6)A;pt(6)A;49709-17-3;N-((9-beta-Ribofuranosyl-9H-purin-6-yl)carbamoyl)threonine;N-(Purine-6-ylcarbamoyl)-L-threonine ribonucleoside 5'-phosphate;L-Threonine, N-(((9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purin-6-yl)amino)carbonyl)-, barium salt (1:1)

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barium(2+);[(2R,3S,4R,5R)-5-[6-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate Basic Attributes

Molecular Weight：

627.6 g/mol

Exact Mass：

627.990190 g/mol

Characteristics

PSA：

264 Å²

Drug Information

MeSH Entry Terms：

N-((9-beta-ribofuranosyl-9H-purin-6-yl)carbamoyl)threonine

Computed Properties

Molecular Weight:627.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:14
Rotatable Bond Count:7
Exact Mass:627.990190
Monoisotopic Mass:627.990190
Topological Polar Surface Area:264
Heavy Atom Count:34
Complexity:761
Defined Atom Stereocenter Count:6
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of barium(2+);[(2R,3S,4R,5R)-5-[6-[[(1S,2R)-1-carboxy-2-hydroxypropyl]carbamoylamino]purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl phosphate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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