(2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite

C2H8O7P2 — CID 57030773

IUPAC(2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite
SMILESOC(COP(O)O)OP(O)O
InChIInChI=1S/C2H8O7P2/c3-2(9-11(6)7)1-8-10(4)5/h2-7H,1H2
InChIKeyZCWXFIMOXIQFIT-UHFFFAOYSA-N
MW206.03 g/mol
LogP-1.24
Rot. Bonds5

About (2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite

(2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite (PubChem CID 57030773) has the molecular formula C2H8O7P2 and a molecular weight of 206.03 g/mol. Its IUPAC name is (2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite.

Molecular Properties

Compound Name(2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite
PubChem CID57030773
Molecular FormulaC2H8O7P2
Molecular Weight206.03 g/mol
Exact Mass205.97
IUPAC Name(2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite
SMILESOC(COP(O)O)OP(O)O
InChIInChI=1S/C2H8O7P2/c3-2(9-11(6)7)1-8-10(4)5/h2-7H,1H2
InChIKeyZCWXFIMOXIQFIT-UHFFFAOYSA-N
XLogP-1.24
TPSA119.61 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.03
LogP ≤ 5-1.24
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

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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Frequently Asked Questions

What is the IUPAC name of (2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite?
The IUPAC name of (2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite (CID 57030773) is (2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite.
What is the SMILES notation for (2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite?
The canonical SMILES for (2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite is OC(COP(O)O)OP(O)O.
What is the InChIKey of (2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite?
The InChIKey is ZCWXFIMOXIQFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O7P2/c3-2(9-11(6)7)1-8-10(4)5/h2-7H,1H2.
What are the key properties of (2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite?
(2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite has a molecular weight of 206.03 g/mol, XLogP of -1.24, 5 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2-dihydroxyphosphanyloxy-1-hydroxyethyl) dihydrogen phosphite is sourced from PubChem (CID 57030773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).