1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione

C10H15N2O7P — CID 45055443

IUPAC1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(C2CC3OP(=O)(O)OCC3O2)C(=O)NC1=O
InChIInChI=1S/C10H15N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h5-8H,2-4H2,1H3,(H,15,16)(H,11,13,14)
InChIKeyJPPQAKIDVXORIE-UHFFFAOYSA-N
MW306.21 g/mol
LogP-0.19
Rot. Bonds1

About 1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione

1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione (PubChem CID 45055443) has the molecular formula C10H15N2O7P and a molecular weight of 306.21 g/mol. Its IUPAC name is 1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione
PubChem CID45055443
Molecular FormulaC10H15N2O7P
Molecular Weight306.21 g/mol
Exact Mass306.06
IUPAC Name1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione
SMILESCC1CN(C2CC3OP(=O)(O)OCC3O2)C(=O)NC1=O
InChIInChI=1S/C10H15N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h5-8H,2-4H2,1H3,(H,15,16)(H,11,13,14)
InChIKeyJPPQAKIDVXORIE-UHFFFAOYSA-N
XLogP-0.19
TPSA114.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione with MolForge

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Related Compounds

1-[(2R,4S,5S)-5-(fluoromethyl)-4-hydroxyoxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
CID 156594917
(5R)-1-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
CID 90295344
2-amino-9-[(1S,6R,8R,10S,15R,17R)-17-(2-amino-6-oxo-4,5-dihydro-1H-purin-9-yl)-3,12-dihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-4,5-dihydro-1H-purin-6-one
CID 137465931
1-[(4aR,6R,7aS)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoro-6-iodopyrimidine-2,4-dione
CID 68662922
1-[5-(aminomethyl)-4-hydroxyoxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
CID 45052348
1-(3,5-dimethylcyclohexyl)-5-methyl-1,3-diazinane-2,4-dione
CID 79777504
CID 156592060
CID 156592060
[(2R,3S,5R)-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)-2-(phosphonooxymethyl)oxolan-3-yl] dihydrogen phosphate
CID 156589497
2-amino-9-[(1R,6S,8R,10R,15R,17R)-17-(2-amino-6-oxo-1H-purin-9-yl)-3,12-dihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3λ5,12λ5-diphosphatricyclo[13.3.0.06,10]octadecan-8-yl]-1H-purin-6-one
CID 135961756
trisodium;tris((2R,3S,5R)-2-[[hydroxy(phosphonooxy)phosphoryl]oxymethyl]-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-3-olate)
CID 122130824
[3-[(4aR,6R,7aS)-2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-5-fluoro-2,6-dioxopyrimidin-1-yl]methyl 2-methylpropanoate
CID 167574026
1-[(2R,4S,5R)-4-hydroxy-5-[[(2R,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxo-1,3-diazinan-1-yl)oxolan-3-yl]oxymethoxymethyl]oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175676840

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione (CID 45055443) is 1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione is CC1CN(C2CC3OP(=O)(O)OCC3O2)C(=O)NC1=O.
What is the InChIKey of 1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione?
The InChIKey is JPPQAKIDVXORIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N2O7P/c1-5-3-12(10(14)11-9(5)13)8-2-6-7(18-8)4-17-20(15,16)19-6/h5-8H,2-4H2,1H3,(H,15,16)(H,11,13,14).
What are the key properties of 1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione?
1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione has a molecular weight of 306.21 g/mol, XLogP of -0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl)-5-methyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 45055443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).