[hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate

C8H8NO6P — CID 58134130

IUPAC[hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCOP(=O)(O)OC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C8H8NO6P/c1-13-16(11,12)15-8(10)6-4-7-5(9-6)2-3-14-7/h2-4,9H,1H3,(H,11,12)
InChIKeyWCUNXIHZPRHAMX-UHFFFAOYSA-N
MW245.13 g/mol
LogP1.66
Rot. Bonds3

About [hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate

[hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate (PubChem CID 58134130) has the molecular formula C8H8NO6P and a molecular weight of 245.13 g/mol. Its IUPAC name is [hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate.

Molecular Properties

Compound Name[hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate
PubChem CID58134130
Molecular FormulaC8H8NO6P
Molecular Weight245.13 g/mol
Exact Mass245.01
IUPAC Name[hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate
SMILESCOP(=O)(O)OC(=O)c1cc2occc2[nH]1
InChIInChI=1S/C8H8NO6P/c1-13-16(11,12)15-8(10)6-4-7-5(9-6)2-3-14-7/h2-4,9H,1H3,(H,11,12)
InChIKeyWCUNXIHZPRHAMX-UHFFFAOYSA-N
XLogP1.66
TPSA101.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

propan-2-yl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50923959
1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134017
acetyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate;molecular hydrogen
CID 143939741
molecular hydrogen;1-propanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 143939670
[hydroxy(propylamino)methyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 123140497
ethoxycarbonyloxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58134140
ethoxymethoxymethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 123865378
[2-methyl-3-(2-methylpropanoyloxy)propyl] 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 66958572
1-butanoyloxyethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50924108
(4-oxopyran-3-yl) 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 175517065
1-(2,2-dimethylpropanoyloxy)propyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 58133893
cyclohexylmethyl 4H-furo[3,2-b]pyrrole-5-carboxylate
CID 50923962

Frequently Asked Questions

What is the IUPAC name of [hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate?
The IUPAC name of [hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate (CID 58134130) is [hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate.
What is the SMILES notation for [hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate?
The canonical SMILES for [hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate is COP(=O)(O)OC(=O)c1cc2occc2[nH]1.
What is the InChIKey of [hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate?
The InChIKey is WCUNXIHZPRHAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8NO6P/c1-13-16(11,12)15-8(10)6-4-7-5(9-6)2-3-14-7/h2-4,9H,1H3,(H,11,12).
What are the key properties of [hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate?
[hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate has a molecular weight of 245.13 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(methoxy)phosphoryl] 4H-furo[3,2-b]pyrrole-5-carboxylate is sourced from PubChem (CID 58134130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).