(2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol

C10H11Cl2N5O3 — CID 88559441

IUPAC(2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1Cl
InChIInChI=1S/C10H11Cl2N5O3/c11-4-6(19)3(1-18)20-9(4)17-2-14-5-7(13)15-10(12)16-8(5)17/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4?,6?,9-/m1/s1
InChIKeyCLIPIWPZUFNPTN-CXIWTZSBSA-N
MW320.14 g/mol
LogP-0.08
Rot. Bonds2

About (2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol

(2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 88559441) has the molecular formula C10H11Cl2N5O3 and a molecular weight of 320.14 g/mol. Its IUPAC name is (2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID88559441
Molecular FormulaC10H11Cl2N5O3
Molecular Weight320.14 g/mol
Exact Mass319.02
IUPAC Name(2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1Cl
InChIInChI=1S/C10H11Cl2N5O3/c11-4-6(19)3(1-18)20-9(4)17-2-14-5-7(13)15-10(12)16-8(5)17/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4?,6?,9-/m1/s1
InChIKeyCLIPIWPZUFNPTN-CXIWTZSBSA-N
XLogP-0.08
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 5-0.08
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,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 6603778
(2R,4R,5R)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrate
CID 155885669
(2R,3R,4S,5R)-4-chloro-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 144853999
(2R,4R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 56973707
(2S,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-4-(18F)fluoro-5-(hydroxymethyl)oxolan-3-ol
CID 25241185
(2R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(chloromethyl)oxolane-3,4-diol
CID 89189091
(2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(fluoromethyl)oxolane-3,4-diol
CID 86627780
(3R,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59408599
(2R,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57128578
(4S,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59760572
2-amino-9-[(2R,3S,5R)-3-chloro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one
CID 136597893
(3R,4S,5R)-2-(6-amino-2-chloropurin-9-yl)-5-methyloxolane-3,4-diol
CID 134235464

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol (CID 88559441) is (2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol is Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1Cl.
What is the InChIKey of (2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is CLIPIWPZUFNPTN-CXIWTZSBSA-N. The full InChI is InChI=1S/C10H11Cl2N5O3/c11-4-6(19)3(1-18)20-9(4)17-2-14-5-7(13)15-10(12)16-8(5)17/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4?,6?,9-/m1/s1.
What are the key properties of (2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol?
(2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 320.14 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-5-(6-amino-2-chloropurin-9-yl)-4-chloro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 88559441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).