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4-amino-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-amino-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile structure

CAS No:
15676-19-4
Formula:
C12H13N5O3
Chemical Name:
4-amino-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Synonyms:
4-Amino-7-(4-hydroxy-5-hydroxymethyl-tetrahydro-furan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile; 2'-deoxytoyocamycin;

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4-amino-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile Basic Attributes

Molecular Weight：

275.26300

Exact Mass：

275.10183929 g/mol

DSSTox ID：

DTXSID30166123

Characteristics

PSA：

130.21000

XLogP3：

0.10708

Density：

1.77g/cm3

Boiling Point：

674.8ºC at 760mmHg

Flash Point：

361.9ºC

Refractive Index：

1.814

Vapor Pressure：

3.95E-19mmHg at 25°C

Computed Properties

Molecular Weight:275.26
XLogP3:-0.6
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:2
Exact Mass:275.10183929
Monoisotopic Mass:275.10183929
Topological Polar Surface Area:130
Heavy Atom Count:20
Complexity:413
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-amino-7-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrrolo[2,3-d]pyrimidine-5-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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