(2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol

C10H12ClN5O3 — CID 145088486

IUPAC(2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnc2c1ncn2[C@@]1(Cl)O[C@H](CO)C[C@H]1O
InChIInChI=1S/C10H12ClN5O3/c11-10(6(18)1-5(2-17)19-10)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,17-18H,1-2H2,(H2,12,13,14)/t5-,6+,10+/m0/s1
InChIKeyLANFPUYLRLWSDF-BAJZRUMYSA-N
MW285.69 g/mol
LogP-0.60
Rot. Bonds2

About (2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol

(2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol (PubChem CID 145088486) has the molecular formula C10H12ClN5O3 and a molecular weight of 285.69 g/mol. Its IUPAC name is (2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol
PubChem CID145088486
Molecular FormulaC10H12ClN5O3
Molecular Weight285.69 g/mol
Exact Mass285.06
IUPAC Name(2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnc2c1ncn2[C@@]1(Cl)O[C@H](CO)C[C@H]1O
InChIInChI=1S/C10H12ClN5O3/c11-10(6(18)1-5(2-17)19-10)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,17-18H,1-2H2,(H2,12,13,14)/t5-,6+,10+/m0/s1
InChIKeyLANFPUYLRLWSDF-BAJZRUMYSA-N
XLogP-0.60
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.69
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol
CID 67235799
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 126731683
(2R,3R,4S,5S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 67217085
(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 58142645
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methoxyoxolane-3,4-diol
CID 68646354
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[[(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-chloromethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 154422167
(2R,3R,4S,5R)-2-(1-adamantyl)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 68586747
(3R,4R)-6-(6-aminopurin-9-yl)-3-(hydroxymethyl)-5-oxaspiro[3.4]octane-7,8-diol
CID 155408841
(2S,3R,4S,5R)-2-(6-aminopurin-9-yl)-2-[tert-butyl(dimethyl)silyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 67570457
(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)-4-methoxy-5-methyloxolan-3-ol
CID 139639688
1-[(3R,4S,5R)-4-(6-aminopurin-9-yl)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]-2-methylpropan-1-one
CID 57270283
(2R,3S,5S)-5-(6-aminopurin-9-yl)-5-[butyl(dimethyl)silyl]-2-(hydroxymethyl)oxolan-3-ol
CID 67780261

Frequently Asked Questions

What is the IUPAC name of (2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol (CID 145088486) is (2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol is Nc1ncnc2c1ncn2[C@@]1(Cl)O[C@H](CO)C[C@H]1O.
What is the InChIKey of (2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol?
The InChIKey is LANFPUYLRLWSDF-BAJZRUMYSA-N. The full InChI is InChI=1S/C10H12ClN5O3/c11-10(6(18)1-5(2-17)19-10)16-4-15-7-8(12)13-3-14-9(7)16/h3-6,17-18H,1-2H2,(H2,12,13,14)/t5-,6+,10+/m0/s1.
What are the key properties of (2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol?
(2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol has a molecular weight of 285.69 g/mol, XLogP of -0.60, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 145088486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).