dihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol

C9H24O9P2 — CID 158686302

IUPACdihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol
SMILESCCC(O)(CC)C(CO)(CO)CO.OP(O)OP(O)O
InChIInChI=1S/C9H20O4.H4O5P2/c1-3-9(13,4-2)8(5-10,6-11)7-12;1-6(2)5-7(3)4/h10-13H,3-7H2,1-2H3;1-4H
InChIKeyIFTZOWKEQLZNMT-UHFFFAOYSA-N
MW338.23 g/mol
LogP-1.07
Rot. Bonds8

About dihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol

dihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol (PubChem CID 158686302) has the molecular formula C9H24O9P2 and a molecular weight of 338.23 g/mol. Its IUPAC name is dihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol.

Molecular Properties

Compound Namedihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol
PubChem CID158686302
Molecular FormulaC9H24O9P2
Molecular Weight338.23 g/mol
Exact Mass338.09
IUPAC Namedihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol
SMILESCCC(O)(CC)C(CO)(CO)CO.OP(O)OP(O)O
InChIInChI=1S/C9H20O4.H4O5P2/c1-3-9(13,4-2)8(5-10,6-11)7-12;1-6(2)5-7(3)4/h10-13H,3-7H2,1-2H3;1-4H
InChIKeyIFTZOWKEQLZNMT-UHFFFAOYSA-N
XLogP-1.07
TPSA171.07 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.23
LogP ≤ 5-1.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol?
The IUPAC name of dihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol (CID 158686302) is dihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol.
What is the SMILES notation for dihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol?
The canonical SMILES for dihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol is CCC(O)(CC)C(CO)(CO)CO.OP(O)OP(O)O.
What is the InChIKey of dihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol?
The InChIKey is IFTZOWKEQLZNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20O4.H4O5P2/c1-3-9(13,4-2)8(5-10,6-11)7-12;1-6(2)5-7(3)4/h10-13H,3-7H2,1-2H3;1-4H.
What are the key properties of dihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol?
dihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol has a molecular weight of 338.23 g/mol, XLogP of -1.07, 8 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxyphosphanyl dihydrogen phosphite;3-ethyl-2,2-bis(hydroxymethyl)pentane-1,3-diol is sourced from PubChem (CID 158686302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).