(2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol

C10H11IN4O3 — CID 90781807

IUPAC(2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol
SMILESOC[C@H]1OC(n2cc3ncnc-3nc2I)C[C@@H]1O
InChIInChI=1S/C10H11IN4O3/c11-10-14-9-5(12-4-13-9)2-15(10)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2/t6-,7+,8?/m0/s1
InChIKeyMGCUMJJZJSXHTG-KJFJCRTCSA-N
MW362.13 g/mol
LogP0.02
Rot. Bonds2

About (2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol

(2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol (PubChem CID 90781807) has the molecular formula C10H11IN4O3 and a molecular weight of 362.13 g/mol. Its IUPAC name is (2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol
PubChem CID90781807
Molecular FormulaC10H11IN4O3
Molecular Weight362.13 g/mol
Exact Mass361.99
IUPAC Name(2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol
SMILESOC[C@H]1OC(n2cc3ncnc-3nc2I)C[C@@H]1O
InChIInChI=1S/C10H11IN4O3/c11-10-14-9-5(12-4-13-9)2-15(10)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2/t6-,7+,8?/m0/s1
InChIKeyMGCUMJJZJSXHTG-KJFJCRTCSA-N
XLogP0.02
TPSA93.29 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.13
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-5-(6-fluoropurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 90951411
(2S,3R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154810042
(2R,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 129361405
(2R,3S)-5-(8-bromopurin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 91292674
(2S,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 6479816
5-(4-amino-5-fluoropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 72614501
2-(hydroxymethyl)-5-(6-methoxypurin-9-yl)oxolan-3-ol
CID 14803552
(2R,5R)-5-(6-amino-2-iodopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 57002489
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2R,3S,5R)-5-(6-chloropurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 10588282
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
4-amino-1-[(2S,4S,5R)-4-hydroxy-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolan-2-yl]-1,3,5-triazin-2-one
CID 76973346

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol?
The IUPAC name of (2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol (CID 90781807) is (2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol.
What is the SMILES notation for (2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol?
The canonical SMILES for (2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol is OC[C@H]1OC(n2cc3ncnc-3nc2I)C[C@@H]1O.
What is the InChIKey of (2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol?
The InChIKey is MGCUMJJZJSXHTG-KJFJCRTCSA-N. The full InChI is InChI=1S/C10H11IN4O3/c11-10-14-9-5(12-4-13-9)2-15(10)8-1-6(17)7(3-16)18-8/h2,4,6-8,16-17H,1,3H2/t6-,7+,8?/m0/s1.
What are the key properties of (2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol?
(2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol has a molecular weight of 362.13 g/mol, XLogP of 0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(hydroxymethyl)-5-(2-iodopurin-1-yl)oxolan-3-ol is sourced from PubChem (CID 90781807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).