 Home > Encyclopedia > 1-[5-O-[Hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-3-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

1-[5-O-[Hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-3-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

1-[5-O-[Hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-3-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine structure

CAS No:
476371-80-9
Formula:
C17H22N5O13P3
Chemical Name:
1-[5-O-[Hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-3-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Synonyms:
1H-Pyrazolo[3,4-d]pyrimidin-4-amine,1-[5-O-[hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-3-(phenylmethyl)-;1-[5-O-[Hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-3-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

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1-[5-O-[Hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-3-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Basic Attributes

Molecular Weight：

597.303563

Exact Mass：

597.30

DSSTox ID：

DTXSID10746987

Characteristics

PSA：

279

XLogP3：

0.54300

Density：

2.16±0.1 g/cm3(Predicted)

1-[5-O-[Hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-3-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine Use and Manufacturing

An inhibitor scaffolds as new allele specific kinase substrates.

Computed Properties

Molecular Weight:597.3
XLogP3:-3.7
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:17
Rotatable Bond Count:10
Exact Mass:597.04269677
Monoisotopic Mass:597.04269677
Topological Polar Surface Area:279
Heavy Atom Count:38
Complexity:970
Defined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1-[5-O-[Hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-3-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

1-[5-O-[Hydroxy[[hydroxy(phosphonooxy)phosphinyl]oxy]phosphinyl]-β-D-ribofuranosyl]-3-(phenylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine

SDS

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