9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine

C11H18N5O6P — CID 118486581

IUPAC9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine
SMILESCOC1C(N2CNC3=C2NC=NC3N)OC2COP(=O)(O)O[C@H]21
InChIInChI=1S/C11H18N5O6P/c1-19-8-7-5(2-20-23(17,18)22-7)21-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3,5,7-9,11,15H,2,4,12H2,1H3,(H,13,14)(H,17,18)/t5?,7-,8?,9?,11?/m1/s1
InChIKeyZAPUDXQSDIFODJ-NYMDIBFYSA-N
MW347.27 g/mol
LogP-1.81
Rot. Bonds2

About 9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine

9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine (PubChem CID 118486581) has the molecular formula C11H18N5O6P and a molecular weight of 347.27 g/mol. Its IUPAC name is 9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine.

Molecular Properties

Compound Name9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine
PubChem CID118486581
Molecular FormulaC11H18N5O6P
Molecular Weight347.27 g/mol
Exact Mass347.10
IUPAC Name9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine
SMILESCOC1C(N2CNC3=C2NC=NC3N)OC2COP(=O)(O)O[C@H]21
InChIInChI=1S/C11H18N5O6P/c1-19-8-7-5(2-20-23(17,18)22-7)21-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3,5,7-9,11,15H,2,4,12H2,1H3,(H,13,14)(H,17,18)/t5?,7-,8?,9?,11?/m1/s1
InChIKeyZAPUDXQSDIFODJ-NYMDIBFYSA-N
XLogP-1.81
TPSA139.90 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.27
LogP ≤ 5-1.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine?
The IUPAC name of 9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine (CID 118486581) is 9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine.
What is the SMILES notation for 9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine?
The canonical SMILES for 9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine is COC1C(N2CNC3=C2NC=NC3N)OC2COP(=O)(O)O[C@H]21.
What is the InChIKey of 9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine?
The InChIKey is ZAPUDXQSDIFODJ-NYMDIBFYSA-N. The full InChI is InChI=1S/C11H18N5O6P/c1-19-8-7-5(2-20-23(17,18)22-7)21-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3,5,7-9,11,15H,2,4,12H2,1H3,(H,13,14)(H,17,18)/t5?,7-,8?,9?,11?/m1/s1.
What are the key properties of 9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine?
9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine has a molecular weight of 347.27 g/mol, XLogP of -1.81, 2 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(7aR)-2-hydroxy-7-methoxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-3,6,7,8-tetrahydropurin-6-amine is sourced from PubChem (CID 118486581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).