(E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol

C14H21N5O — CID 10516542

IUPAC(E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol
SMILESCCC/C=C/C[C@H]([C@H](C)O)n1cnc2c(N)ncnc21
InChIInChI=1S/C14H21N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h5-6,8-11,20H,3-4,7H2,1-2H3,(H2,15,16,17)/b6-5+/t10-,11+/m0/s1
InChIKeyQZMKAUPEGUOLDB-PFDYWKIBSA-N
MW275.36 g/mol
LogP2.08
Rot. Bonds6

About (E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol

(E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol (PubChem CID 10516542) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is (E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol.

Molecular Properties

Compound Name(E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol
PubChem CID10516542
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name(E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol
SMILESCCC/C=C/C[C@H]([C@H](C)O)n1cnc2c(N)ncnc21
InChIInChI=1S/C14H21N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h5-6,8-11,20H,3-4,7H2,1-2H3,(H2,15,16,17)/b6-5+/t10-,11+/m0/s1
InChIKeyQZMKAUPEGUOLDB-PFDYWKIBSA-N
XLogP2.08
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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(2R,3S)-3-(6-amino-9H-purin-9-yl)nonan-2-ol
CID 149784
2',3'-Didehydro-2',3'-dideoxyadenosine
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Ehna
CID 3206
9-(2-Hydroxypropyl)adenine
CID 1942
3-(6-Amino-9H-purin-9-yl)-1,2-propanediol
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(1S,2R,5R)-5-(6-aminopurin-9-yl)cyclopent-3-ene-1,2-diol
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Frequently Asked Questions

What is the IUPAC name of (E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol?
The IUPAC name of (E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol (CID 10516542) is (E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol.
What is the SMILES notation for (E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol?
The canonical SMILES for (E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol is CCC/C=C/C[C@H]([C@H](C)O)n1cnc2c(N)ncnc21.
What is the InChIKey of (E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol?
The InChIKey is QZMKAUPEGUOLDB-PFDYWKIBSA-N. The full InChI is InChI=1S/C14H21N5O/c1-3-4-5-6-7-11(10(2)20)19-9-18-12-13(15)16-8-17-14(12)19/h5-6,8-11,20H,3-4,7H2,1-2H3,(H2,15,16,17)/b6-5+/t10-,11+/m0/s1.
What are the key properties of (E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol?
(E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol has a molecular weight of 275.36 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S,3R)-3-(6-aminopurin-9-yl)non-5-en-2-ol is sourced from PubChem (CID 10516542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).