(2R,3R)-3-(6-aminopurin-9-yl)nonane-1,2-diol

C14H23N5O2 — CID 10402146

IUPAC(2R,3R)-3-(6-aminopurin-9-yl)nonane-1,2-diol
SMILESCCCCCC[C@H]([C@@H](O)CO)n1cnc2c(N)ncnc21
InChIInChI=1S/C14H23N5O2/c1-2-3-4-5-6-10(11(21)7-20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20-21H,2-7H2,1H3,(H2,15,16,17)/t10-,11+/m1/s1
InChIKeyBVBDROGWTQKEIV-MNOVXSKESA-N
MW293.37 g/mol
LogP1.27
Rot. Bonds8

About (2R,3R)-3-(6-aminopurin-9-yl)nonane-1,2-diol

(2R,3R)-3-(6-aminopurin-9-yl)nonane-1,2-diol (PubChem CID 10402146) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is (2R,3R)-3-(6-aminopurin-9-yl)nonane-1,2-diol.

Molecular Properties

Compound Name(2R,3R)-3-(6-aminopurin-9-yl)nonane-1,2-diol
PubChem CID10402146
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name(2R,3R)-3-(6-aminopurin-9-yl)nonane-1,2-diol
SMILESCCCCCC[C@H]([C@@H](O)CO)n1cnc2c(N)ncnc21
InChIInChI=1S/C14H23N5O2/c1-2-3-4-5-6-10(11(21)7-20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20-21H,2-7H2,1H3,(H2,15,16,17)/t10-,11+/m1/s1
InChIKeyBVBDROGWTQKEIV-MNOVXSKESA-N
XLogP1.27
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(6-aminopurin-9-yl)nonane-1,2-diol?
The IUPAC name of (2R,3R)-3-(6-aminopurin-9-yl)nonane-1,2-diol (CID 10402146) is (2R,3R)-3-(6-aminopurin-9-yl)nonane-1,2-diol.
What is the SMILES notation for (2R,3R)-3-(6-aminopurin-9-yl)nonane-1,2-diol?
The canonical SMILES for (2R,3R)-3-(6-aminopurin-9-yl)nonane-1,2-diol is CCCCCC[C@H]([C@@H](O)CO)n1cnc2c(N)ncnc21.
What is the InChIKey of (2R,3R)-3-(6-aminopurin-9-yl)nonane-1,2-diol?
The InChIKey is BVBDROGWTQKEIV-MNOVXSKESA-N. The full InChI is InChI=1S/C14H23N5O2/c1-2-3-4-5-6-10(11(21)7-20)19-9-18-12-13(15)16-8-17-14(12)19/h8-11,20-21H,2-7H2,1H3,(H2,15,16,17)/t10-,11+/m1/s1.
What are the key properties of (2R,3R)-3-(6-aminopurin-9-yl)nonane-1,2-diol?
(2R,3R)-3-(6-aminopurin-9-yl)nonane-1,2-diol has a molecular weight of 293.37 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(6-aminopurin-9-yl)nonane-1,2-diol is sourced from PubChem (CID 10402146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).