(3R)-3-(6-chloropurin-9-yl)decan-1-ol

C15H23ClN4O — CID 164623218

IUPAC(3R)-3-(6-chloropurin-9-yl)decan-1-ol
SMILESCCCCCCC[C@H](CCO)n1cnc2c(Cl)ncnc21
InChIInChI=1S/C15H23ClN4O/c1-2-3-4-5-6-7-12(8-9-21)20-11-19-13-14(16)17-10-18-15(13)20/h10-12,21H,2-9H2,1H3/t12-/m1/s1
InChIKeyIYVRKTITLDICQX-GFCCVEGCSA-N
MW310.83 g/mol
LogP3.76
Rot. Bonds9

About (3R)-3-(6-chloropurin-9-yl)decan-1-ol

(3R)-3-(6-chloropurin-9-yl)decan-1-ol (PubChem CID 164623218) has the molecular formula C15H23ClN4O and a molecular weight of 310.83 g/mol. Its IUPAC name is (3R)-3-(6-chloropurin-9-yl)decan-1-ol.

Molecular Properties

Compound Name(3R)-3-(6-chloropurin-9-yl)decan-1-ol
PubChem CID164623218
Molecular FormulaC15H23ClN4O
Molecular Weight310.83 g/mol
Exact Mass310.16
IUPAC Name(3R)-3-(6-chloropurin-9-yl)decan-1-ol
SMILESCCCCCCC[C@H](CCO)n1cnc2c(Cl)ncnc21
InChIInChI=1S/C15H23ClN4O/c1-2-3-4-5-6-7-12(8-9-21)20-11-19-13-14(16)17-10-18-15(13)20/h10-12,21H,2-9H2,1H3/t12-/m1/s1
InChIKeyIYVRKTITLDICQX-GFCCVEGCSA-N
XLogP3.76
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.83
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-Ehna
CID 149790
(2R,3S)-3-(6-amino-9H-purin-9-yl)nonan-2-ol
CID 149784
6-chloro-9-(tetrahydro-2H-pyran-2-yl)-9H-purine
CID 97740
Ehna
CID 3206
(+)-Threo-9-(2-hydroxy-3-nonyl)adenine
CID 149792
5LD6S82A2N
CID 24197375
[9-[(2R,3S)-2-hydroxynonan-3-yl]purin-6-yl]azanium;chloride
CID 135450187
Erythro-9-(2-hydroxy-3-nonyl)adenine monohydrochloride
CID 11957547
3-(9H-Purin-9-yl)nonan-2-ol
CID 21121780
3-(6-Chloropurin-9-yl)dodecan-1-ol
CID 156697625
2-(2-(2-Amino-6-chloro-9H-purin-9-yl)ethyl)propane-1,3-diol
CID 11425738
6-Amino-beta-hexyl-alpha-methyl-9H-purine-9-ethanol
CID 149793

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-chloropurin-9-yl)decan-1-ol?
The IUPAC name of (3R)-3-(6-chloropurin-9-yl)decan-1-ol (CID 164623218) is (3R)-3-(6-chloropurin-9-yl)decan-1-ol.
What is the SMILES notation for (3R)-3-(6-chloropurin-9-yl)decan-1-ol?
The canonical SMILES for (3R)-3-(6-chloropurin-9-yl)decan-1-ol is CCCCCCC[C@H](CCO)n1cnc2c(Cl)ncnc21.
What is the InChIKey of (3R)-3-(6-chloropurin-9-yl)decan-1-ol?
The InChIKey is IYVRKTITLDICQX-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23ClN4O/c1-2-3-4-5-6-7-12(8-9-21)20-11-19-13-14(16)17-10-18-15(13)20/h10-12,21H,2-9H2,1H3/t12-/m1/s1.
What are the key properties of (3R)-3-(6-chloropurin-9-yl)decan-1-ol?
(3R)-3-(6-chloropurin-9-yl)decan-1-ol has a molecular weight of 310.83 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-chloropurin-9-yl)decan-1-ol is sourced from PubChem (CID 164623218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).