[carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate

C5H9O10P — CID 170246060

IUPAC[carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate
SMILESCOP(=O)(OCOC(=O)O)OCOC(=O)O
InChIInChI=1S/C5H9O10P/c1-11-16(10,14-2-12-4(6)7)15-3-13-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyGIWGMIGYSRMDBT-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.08
Rot. Bonds7

About [carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate

[carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate (PubChem CID 170246060) has the molecular formula C5H9O10P and a molecular weight of 260.09 g/mol. Its IUPAC name is [carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate.

Molecular Properties

Compound Name[carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate
PubChem CID170246060
Molecular FormulaC5H9O10P
Molecular Weight260.09 g/mol
Exact Mass259.99
IUPAC Name[carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate
SMILESCOP(=O)(OCOC(=O)O)OCOC(=O)O
InChIInChI=1S/C5H9O10P/c1-11-16(10,14-2-12-4(6)7)15-3-13-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9)
InChIKeyGIWGMIGYSRMDBT-UHFFFAOYSA-N
XLogP1.08
TPSA137.82 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-dimethoxyphosphoryloxyacetic acid
CID 88616837
[methoxycarbonyloxymethoxy(propan-2-yloxy)phosphoryl]oxymethyl methyl carbonate
CID 122697840
2,2-bis(hydroxymethyl)propane-1,3-diol;prop-2-enoic acid;trimethyl phosphate
CID 174679316
2-[ethoxy(methoxy)phosphoryl]oxyethyl prop-2-enoate
CID 175376147
azane;methyl bis(prop-2-enyl) phosphate
CID 174513624
ethyl dihydrogen phosphate;trimethyl phosphate
CID 160912301
dimethyl 2-oxopropyl phosphate
CID 14469675
acetic acid;dimethylphosphoryloxymethane
CID 174989212
potassium;hydride;phosphoric acid;trimethyl phosphate
CID 174889020
dimethoxyphosphoryl 2-aminoacetate
CID 150492348
dimethyl propyl phosphate;octadecanamide
CID 161011804
(3-methoxy-2-oxopropyl) dimethyl phosphate
CID 139615223

Frequently Asked Questions

What is the IUPAC name of [carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate?
The IUPAC name of [carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate (CID 170246060) is [carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate.
What is the SMILES notation for [carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate?
The canonical SMILES for [carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate is COP(=O)(OCOC(=O)O)OCOC(=O)O.
What is the InChIKey of [carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate?
The InChIKey is GIWGMIGYSRMDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9O10P/c1-11-16(10,14-2-12-4(6)7)15-3-13-5(8)9/h2-3H2,1H3,(H,6,7)(H,8,9).
What are the key properties of [carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate?
[carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate has a molecular weight of 260.09 g/mol, XLogP of 1.08, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [carboxyoxymethoxy(methoxy)phosphoryl]oxymethyl hydrogen carbonate is sourced from PubChem (CID 170246060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).