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2-(hydroxymethyl)-5-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol

2-(hydroxymethyl)-5-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol structure

CAS No:
13241-46-8
Formula:
C12H16N4O4
Chemical Name:
2-(hydroxymethyl)-5-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol
Synonyms:
n-methyl-7-pentofuranosyl-7h-pyrrolo[2,3-d]pyrimidin-4-amine; N6-Methyl-tubercidine;

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2-(hydroxymethyl)-5-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol Basic Attributes

Molecular Weight：

280.28000

Exact Mass：

280.11715500 g/mol

NSC Number：

103791

DSSTox ID：

DTXSID10295667

Characteristics

PSA：

112.66000

XLogP3：

-0.84250

Density：

1.72g/cm3

Boiling Point：

626ºC at 760 mmHg

Flash Point：

332.4ºC

Refractive Index：

1.761

Vapor Pressure：

1.55E-16mmHg at 25°C

Computed Properties

Molecular Weight:280.28
XLogP3:-0.7
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:280.11715500
Monoisotopic Mass:280.11715500
Topological Polar Surface Area:113
Heavy Atom Count:20
Complexity:347
Undefined Atom Stereocenter Count:4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(hydroxymethyl)-5-[4-(methylamino)pyrrolo[2,3-d]pyrimidin-7-yl]oxolane-3,4-diol

Basic Attributes
Characteristics
Computed Properties

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