(3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol

C10H11N5O2 — CID 10752094

IUPAC(3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol
SMILESNc1ncnc2c1ncn2[C@H]1C=C[C@H](O)CO1
InChIInChI=1S/C10H11N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(16)3-17-7/h1-2,4-7,16H,3H2,(H2,11,12,13)/t6-,7+/m0/s1
InChIKeyZFBNRRJNAKLBTB-NKWVEPMBSA-N
MW233.23 g/mol
LogP-0.15
Rot. Bonds1

About (3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol

(3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol (PubChem CID 10752094) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is (3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol.

Molecular Properties

Compound Name(3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol
PubChem CID10752094
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name(3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol
SMILESNc1ncnc2c1ncn2[C@H]1C=C[C@H](O)CO1
InChIInChI=1S/C10H11N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(16)3-17-7/h1-2,4-7,16H,3H2,(H2,11,12,13)/t6-,7+/m0/s1
InChIKeyZFBNRRJNAKLBTB-NKWVEPMBSA-N
XLogP-0.15
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(3S,6S)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol
CID 10775981
4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol
CID 19047346
3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride
CID 23209333
(4R)-3-(6-aminopurin-9-yl)-2,6-dioxabicyclo[3.2.0]heptan-4-ol
CID 135258372
(2S,3R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxan-3-ol
CID 10611714
(2R,3R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 11425245
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 10660443
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
6-(6-aminopurin-9-yl)-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3]dioxin-7-ol
CID 142072673
(3S,3aR,6R,6aS)-3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-thiol
CID 59901097
[5-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxolan-3-yl]methanol
CID 11630346

Frequently Asked Questions

What is the IUPAC name of (3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol?
The IUPAC name of (3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol (CID 10752094) is (3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol.
What is the SMILES notation for (3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol?
The canonical SMILES for (3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol is Nc1ncnc2c1ncn2[C@H]1C=C[C@H](O)CO1.
What is the InChIKey of (3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol?
The InChIKey is ZFBNRRJNAKLBTB-NKWVEPMBSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-9-8-10(13-4-12-9)15(5-14-8)7-2-1-6(16)3-17-7/h1-2,4-7,16H,3H2,(H2,11,12,13)/t6-,7+/m0/s1.
What are the key properties of (3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol?
(3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol has a molecular weight of 233.23 g/mol, XLogP of -0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol is sourced from PubChem (CID 10752094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).