methyl 5-diethoxyphosphoryloxyfuran-2-carboxylate

C10H15O7P — CID 134693338

IUPACmethyl 5-diethoxyphosphoryloxyfuran-2-carboxylate
SMILESCCOP(=O)(OCC)Oc1ccc(C(=O)OC)o1
InChIInChI=1S/C10H15O7P/c1-4-14-18(12,15-5-2)17-9-7-6-8(16-9)10(11)13-3/h6-7H,4-5H2,1-3H3
InChIKeySMZOGCBQICVABH-UHFFFAOYSA-N
MW278.20 g/mol
LogP2.63
Rot. Bonds7

About methyl 5-diethoxyphosphoryloxyfuran-2-carboxylate

methyl 5-diethoxyphosphoryloxyfuran-2-carboxylate (PubChem CID 134693338) has the molecular formula C10H15O7P and a molecular weight of 278.20 g/mol. Its IUPAC name is methyl 5-diethoxyphosphoryloxyfuran-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-diethoxyphosphoryloxyfuran-2-carboxylate
PubChem CID134693338
Molecular FormulaC10H15O7P
Molecular Weight278.20 g/mol
Exact Mass278.06
IUPAC Namemethyl 5-diethoxyphosphoryloxyfuran-2-carboxylate
SMILESCCOP(=O)(OCC)Oc1ccc(C(=O)OC)o1
InChIInChI=1S/C10H15O7P/c1-4-14-18(12,15-5-2)17-9-7-6-8(16-9)10(11)13-3/h6-7H,4-5H2,1-3H3
InChIKeySMZOGCBQICVABH-UHFFFAOYSA-N
XLogP2.63
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.20
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-[(ethoxyamino)methyl]furan-2-carboxylate
CID 115279422
methyl 5-(ethoxymethyl)furan-2-carboxylate
CID 4193919
methyl 5-[4-(2-oxopropyl)phenoxy]furan-2-carboxylate
CID 19874529
methyl 4-(2-diethoxyphosphorylacetyl)benzoate
CID 86060714
dimethyl furan-2,5-dicarboxylate;furan-2,5-dicarboxylic acid
CID 141444077
5-methoxycarbonylfuran-2-carboxylic acid
CID 11435181
methyl 5-(3-methoxycarbonylphenoxy)furan-2-carboxylate
CID 12756460
methyl 5-[(1R)-1-hydroxypropyl]furan-2-carboxylate
CID 82758761
methyl 5-ethylsulfinylfuran-2-carboxylate
CID 163367683
(4-diethoxyphosphoryloxyphenyl)methyl carbonochloridate
CID 131976846
ethane;methyl 5-pent-2-en-2-ylfuran-2-carboxylate
CID 91473500
methyl 4-[(2-diethoxyphosphorylacetyl)amino]benzoate
CID 87383699

Frequently Asked Questions

What is the IUPAC name of methyl 5-diethoxyphosphoryloxyfuran-2-carboxylate?
The IUPAC name of methyl 5-diethoxyphosphoryloxyfuran-2-carboxylate (CID 134693338) is methyl 5-diethoxyphosphoryloxyfuran-2-carboxylate.
What is the SMILES notation for methyl 5-diethoxyphosphoryloxyfuran-2-carboxylate?
The canonical SMILES for methyl 5-diethoxyphosphoryloxyfuran-2-carboxylate is CCOP(=O)(OCC)Oc1ccc(C(=O)OC)o1.
What is the InChIKey of methyl 5-diethoxyphosphoryloxyfuran-2-carboxylate?
The InChIKey is SMZOGCBQICVABH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O7P/c1-4-14-18(12,15-5-2)17-9-7-6-8(16-9)10(11)13-3/h6-7H,4-5H2,1-3H3.
What are the key properties of methyl 5-diethoxyphosphoryloxyfuran-2-carboxylate?
methyl 5-diethoxyphosphoryloxyfuran-2-carboxylate has a molecular weight of 278.20 g/mol, XLogP of 2.63, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-diethoxyphosphoryloxyfuran-2-carboxylate is sourced from PubChem (CID 134693338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).