[hydroxy(dimethoxy)methyl] dihydrogen phosphate

C3H9O7P — CID 11851022

IUPAC[hydroxy(dimethoxy)methyl] dihydrogen phosphate
SMILESCOC(O)(OC)OP(=O)(O)O
InChIInChI=1S/C3H9O7P/c1-8-3(4,9-2)10-11(5,6)7/h4H,1-2H3,(H2,5,6,7)
InChIKeyJBBMYMXWWQKQES-UHFFFAOYSA-N
MW188.07 g/mol
LogP-1.01
Rot. Bonds4

About [hydroxy(dimethoxy)methyl] dihydrogen phosphate

[hydroxy(dimethoxy)methyl] dihydrogen phosphate (PubChem CID 11851022) has the molecular formula C3H9O7P and a molecular weight of 188.07 g/mol. Its IUPAC name is [hydroxy(dimethoxy)methyl] dihydrogen phosphate.

Molecular Properties

Compound Name[hydroxy(dimethoxy)methyl] dihydrogen phosphate
PubChem CID11851022
Molecular FormulaC3H9O7P
Molecular Weight188.07 g/mol
Exact Mass188.01
IUPAC Name[hydroxy(dimethoxy)methyl] dihydrogen phosphate
SMILESCOC(O)(OC)OP(=O)(O)O
InChIInChI=1S/C3H9O7P/c1-8-3(4,9-2)10-11(5,6)7/h4H,1-2H3,(H2,5,6,7)
InChIKeyJBBMYMXWWQKQES-UHFFFAOYSA-N
XLogP-1.01
TPSA105.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.07
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

trimethoxymethanol
CID 22386239
carbanylium;methyl dihydrogen phosphate
CID 165007935
methyl hypochlorite;phosphoric acid
CID 175163315
trifluoromethyl dihydrogen phosphate
CID 23129820
2-methoxypropan-2-yloxy(methyl)phosphinic acid
CID 23387602
(3-iodo-2,2,4,4-tetramethylpentan-3-yl) dihydrogen phosphate
CID 151636564
cobalt;methyl dihydrogen phosphate;nickel
CID 175031346
formaldehyde;bis(methyl dihydrogen phosphate)
CID 174780160
dipotassium;hydride;methyl dihydrogen phosphate
CID 174980148
2,2,2-trimethoxyethyl dihydrogen phosphate
CID 54493735
[2,2,3,3,3-pentafluoro-1,1-bis(trimethylsilyl)propyl] dihydrogen phosphate
CID 87637334
[bromo(difluoro)methyl] dihydrogen phosphate
CID 141394885

Frequently Asked Questions

What is the IUPAC name of [hydroxy(dimethoxy)methyl] dihydrogen phosphate?
The IUPAC name of [hydroxy(dimethoxy)methyl] dihydrogen phosphate (CID 11851022) is [hydroxy(dimethoxy)methyl] dihydrogen phosphate.
What is the SMILES notation for [hydroxy(dimethoxy)methyl] dihydrogen phosphate?
The canonical SMILES for [hydroxy(dimethoxy)methyl] dihydrogen phosphate is COC(O)(OC)OP(=O)(O)O.
What is the InChIKey of [hydroxy(dimethoxy)methyl] dihydrogen phosphate?
The InChIKey is JBBMYMXWWQKQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9O7P/c1-8-3(4,9-2)10-11(5,6)7/h4H,1-2H3,(H2,5,6,7).
What are the key properties of [hydroxy(dimethoxy)methyl] dihydrogen phosphate?
[hydroxy(dimethoxy)methyl] dihydrogen phosphate has a molecular weight of 188.07 g/mol, XLogP of -1.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(dimethoxy)methyl] dihydrogen phosphate is sourced from PubChem (CID 11851022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).