N-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide

C11H15NO6P2 — CID 59088140

IUPACN-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide
SMILESCC1=C(C)C(C(O)CNC(=O)CC(P=O)P=O)OC1=O
InChIInChI=1S/C11H15NO6P2/c1-5-6(2)11(15)18-10(5)7(13)4-12-8(14)3-9(19-16)20-17/h7,9-10,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyNWSKLTGNQQMFIV-UHFFFAOYSA-N
MW319.19 g/mol
LogP1.02
Rot. Bonds7

About N-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide

N-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide (PubChem CID 59088140) has the molecular formula C11H15NO6P2 and a molecular weight of 319.19 g/mol. Its IUPAC name is N-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide
PubChem CID59088140
Molecular FormulaC11H15NO6P2
Molecular Weight319.19 g/mol
Exact Mass319.04
IUPAC NameN-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide
SMILESCC1=C(C)C(C(O)CNC(=O)CC(P=O)P=O)OC1=O
InChIInChI=1S/C11H15NO6P2/c1-5-6(2)11(15)18-10(5)7(13)4-12-8(14)3-9(19-16)20-17/h7,9-10,13H,3-4H2,1-2H3,(H,12,14)
InChIKeyNWSKLTGNQQMFIV-UHFFFAOYSA-N
XLogP1.02
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.19
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide?
The IUPAC name of N-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide (CID 59088140) is N-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide.
What is the SMILES notation for N-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide?
The canonical SMILES for N-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide is CC1=C(C)C(C(O)CNC(=O)CC(P=O)P=O)OC1=O.
What is the InChIKey of N-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide?
The InChIKey is NWSKLTGNQQMFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO6P2/c1-5-6(2)11(15)18-10(5)7(13)4-12-8(14)3-9(19-16)20-17/h7,9-10,13H,3-4H2,1-2H3,(H,12,14).
What are the key properties of N-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide?
N-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide has a molecular weight of 319.19 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethyl-5-oxo-2H-furan-2-yl)-2-hydroxyethyl]-3,3-diphosphorosopropanamide is sourced from PubChem (CID 59088140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).