[(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol

C11H13N5O2 — CID 10634219

IUPAC[(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H]2C[C@H]21
InChIInChI=1S/C11H13N5O2/c12-9-8-10(14-3-13-9)16(4-15-8)11-6-1-5(6)7(2-17)18-11/h3-7,11,17H,1-2H2,(H2,12,13,14)/t5-,6+,7-,11-/m0/s1
InChIKeyBTSIVDXFPRZXRW-UWVKOVSDSA-N
MW247.26 g/mol
LogP-0.07
Rot. Bonds2

About [(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol

[(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol (PubChem CID 10634219) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is [(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol.

Molecular Properties

Compound Name[(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol
PubChem CID10634219
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name[(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H]2C[C@H]21
InChIInChI=1S/C11H13N5O2/c12-9-8-10(14-3-13-9)16(4-15-8)11-6-1-5(6)7(2-17)18-11/h3-7,11,17H,1-2H2,(H2,12,13,14)/t5-,6+,7-,11-/m0/s1
InChIKeyBTSIVDXFPRZXRW-UWVKOVSDSA-N
XLogP-0.07
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol with MolForge

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Related Compounds

[(1R,2S,4R,5R)-4-(6-aminopurin-9-yl)-3,6-dioxabicyclo[3.2.0]heptan-2-yl]methanol
CID 10563492
(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
(2R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 68808455
[(2R,4R,5S)-4-(6-aminopurin-9-yl)-3,6,7-trioxabicyclo[3.2.0]heptan-2-yl]methanol
CID 176801448
(2R,3R,4R,5S)-4-amino-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 12800105

Frequently Asked Questions

What is the IUPAC name of [(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol?
The IUPAC name of [(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol (CID 10634219) is [(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol.
What is the SMILES notation for [(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol?
The canonical SMILES for [(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol is Nc1ncnc2c1ncn2[C@H]1O[C@@H](CO)[C@H]2C[C@H]21.
What is the InChIKey of [(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol?
The InChIKey is BTSIVDXFPRZXRW-UWVKOVSDSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-9-8-10(14-3-13-9)16(4-15-8)11-6-1-5(6)7(2-17)18-11/h3-7,11,17H,1-2H2,(H2,12,13,14)/t5-,6+,7-,11-/m0/s1.
What are the key properties of [(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol?
[(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol has a molecular weight of 247.26 g/mol, XLogP of -0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol is sourced from PubChem (CID 10634219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).