[dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate

CH4O8P2-2 — CID 23418291

IUPAC[dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate
SMILESO=P([O-])(O)C(O)(O)P(=O)([O-])O
InChIInChI=1S/CH6O8P2/c2-1(3,10(4,5)6)11(7,8)9/h2-3H,(H2,4,5,6)(H2,7,8,9)/p-2
InChIKeyVOCLSHIYPGYWJW-UHFFFAOYSA-L
MW205.98 g/mol
LogP-3.33
Rot. Bonds2

About [dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate

[dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate (PubChem CID 23418291) has the molecular formula CH4O8P2-2 and a molecular weight of 205.98 g/mol. Its IUPAC name is [dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate.

Molecular Properties

Compound Name[dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate
PubChem CID23418291
Molecular FormulaCH4O8P2-2
Molecular Weight205.98 g/mol
Exact Mass205.94
IUPAC Name[dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate
SMILESO=P([O-])(O)C(O)(O)P(=O)([O-])O
InChIInChI=1S/CH6O8P2/c2-1(3,10(4,5)6)11(7,8)9/h2-3H,(H2,4,5,6)(H2,7,8,9)/p-2
InChIKeyVOCLSHIYPGYWJW-UHFFFAOYSA-L
XLogP-3.33
TPSA161.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.98
LogP ≤ 5-3.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

disodium;dihydrogen phosphate;hydride
CID 160585046
dizinc;tetrakis(dihydrogen phosphate)
CID 161370337
tetrakis(dihydrogen phosphate);zirconium(4+)
CID 22328152
bis(chromium(3+));hydrogen phosphate
CID 19708255
tetrakis(dihydrogen phosphate);tetrakis(thallium(1+))
CID 139063709
zinc bis(dihydrogen phosphate)
CID 11253952
hafnium;hydrogen phosphate
CID 160536753
hydrogen phosphate;bis(lutetium(3+))
CID 159566068
hexakis(dihydrogen phosphate);molybdenum
CID 18504359
sodium dihydroxy(32P)phosphinate
CID 23694678
disodium;[dichloro-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate;hydrate
CID 140533737
trilithium;phosphoric acid;phosphate
CID 158468021

Frequently Asked Questions

What is the IUPAC name of [dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate?
The IUPAC name of [dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate (CID 23418291) is [dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate.
What is the SMILES notation for [dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate?
The canonical SMILES for [dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate is O=P([O-])(O)C(O)(O)P(=O)([O-])O.
What is the InChIKey of [dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate?
The InChIKey is VOCLSHIYPGYWJW-UHFFFAOYSA-L. The full InChI is InChI=1S/CH6O8P2/c2-1(3,10(4,5)6)11(7,8)9/h2-3H,(H2,4,5,6)(H2,7,8,9)/p-2.
What are the key properties of [dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate?
[dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate has a molecular weight of 205.98 g/mol, XLogP of -3.33, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [dihydroxy-[hydroxy(oxido)phosphoryl]methyl]-hydroxyphosphinate is sourced from PubChem (CID 23418291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).