(2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol

C10H13FN6O2 — CID 21145488

IUPAC(2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol
SMILESNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)C1F
InChIInChI=1S/C10H13FN6O2/c11-5-4(1-12)19-10(7(5)18)17-3-16-6-8(13)14-2-15-9(6)17/h2-5,7,10,18H,1,12H2,(H2,13,14,15)/t4-,5?,7-,10-/m1/s1
InChIKeyJAVBHBHAMQYQAN-QKIGGPNISA-N
MW268.25 g/mol
LogP-1.04
Rot. Bonds2

About (2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol

(2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol (PubChem CID 21145488) has the molecular formula C10H13FN6O2 and a molecular weight of 268.25 g/mol. Its IUPAC name is (2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol
PubChem CID21145488
Molecular FormulaC10H13FN6O2
Molecular Weight268.25 g/mol
Exact Mass268.11
IUPAC Name(2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol
SMILESNC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)C1F
InChIInChI=1S/C10H13FN6O2/c11-5-4(1-12)19-10(7(5)18)17-3-16-6-8(13)14-2-15-9(6)17/h2-5,7,10,18H,1,12H2,(H2,13,14,15)/t4-,5?,7-,10-/m1/s1
InChIKeyJAVBHBHAMQYQAN-QKIGGPNISA-N
XLogP-1.04
TPSA125.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.25
LogP ≤ 5-1.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol
CID 59289290
(2R,3S,4S,5R,6S,7R)-7-(6-aminopurin-9-yl)-6-fluoro-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940294
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
[5-(6-aminopurin-9-yl)-3-fluoro-4-hydroxyoxolan-2-yl]methoxymethyl-oxophosphanium
CID 175453379
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 18755237
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;chromium
CID 87862906
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphane
CID 158226828

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol (CID 21145488) is (2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol is NC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)C1F.
What is the InChIKey of (2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol?
The InChIKey is JAVBHBHAMQYQAN-QKIGGPNISA-N. The full InChI is InChI=1S/C10H13FN6O2/c11-5-4(1-12)19-10(7(5)18)17-3-16-6-8(13)14-2-15-9(6)17/h2-5,7,10,18H,1,12H2,(H2,13,14,15)/t4-,5?,7-,10-/m1/s1.
What are the key properties of (2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol?
(2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol has a molecular weight of 268.25 g/mol, XLogP of -1.04, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(aminomethyl)-2-(6-aminopurin-9-yl)-4-fluorooxolan-3-ol is sourced from PubChem (CID 21145488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).