 Home > Encyclopedia > [(2R,3S,4R,5R)-4-amino-2-[[(2R,3S,4R,5R)-4-amino-5-(2-amino-6-oxo-3H-purin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate

[(2R,3S,4R,5R)-4-amino-2-[[(2R,3S,4R,5R)-4-amino-5-(2-amino-6-oxo-3H-purin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate

[(2R,3S,4R,5R)-4-amino-2-[[(2R,3S,4R,5R)-4-amino-5-(2-amino-6-oxo-3H-purin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate structure

CAS No:
109679-54-1
Formula:
C19H28N10O13P2
Chemical Name:
[(2R,3S,4R,5R)-4-amino-2-[[(2R,3S,4R,5R)-4-amino-5-(2-amino-6-oxo-3H-purin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate
Synonyms:
5'-Phosphoryl-(3'-amino-3'-deoxyguanylyl)-(3'-5')-3'-amino-3'-deoxycytidine; 5'-Guanylic acid,3'-amino-3'-deoxycytidylyl-(5'-3')-3'-amino-3'-deoxy; Padgdc;

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[(2R,3S,4R,5R)-4-amino-2-[[(2R,3S,4R,5R)-4-amino-5-(2-amino-6-oxo-3H-purin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate Basic Attributes

Molecular Weight：

666.43200

Exact Mass：

666.13125498

DSSTox ID：

DTXSID90149013

Characteristics

PSA：

385.35000

XLogP3：

-1.95190

Density：

2.43g/cm3

Boiling Point：

1113.6ºC at 760mmHg

Flash Point：

627.3ºC

Refractive Index：

1.952

Vapor Pressure：

0mmHg at 25°C

Drug Information

MeSH Entry Terms：

5'-phosphoryl-(3'-amino-3'-deoxyguanylyl)-(3'-5')-3'-amino-3'-deoxycytidine

Computed Properties

Molecular Weight:666.4
XLogP3:-12.7
Hydrogen Bond Donor Count:9
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:10
Exact Mass:666.13125498
Monoisotopic Mass:666.13125498
Topological Polar Surface Area:357
Heavy Atom Count:44
Complexity:1340
Defined Atom Stereocenter Count:8
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of [(2R,3S,4R,5R)-4-amino-2-[[(2R,3S,4R,5R)-4-amino-5-(2-amino-6-oxo-3H-purin-9-yl)-3-phosphonooxyoxolan-2-yl]methoxymethyl]-5-(4-amino-2-oxopyrimidin-1-yl)oxolan-3-yl] dihydrogen phosphate

Basic Attributes
Characteristics
Drug Information
Computed Properties
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