3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol

C4H11O5P — CID 90085128

IUPAC3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol
SMILESC=P(O)(O)OCC(O)CO
InChIInChI=1S/C4H11O5P/c1-10(7,8)9-3-4(6)2-5/h4-8H,1-3H2
InChIKeyABPKESIERYTISL-UHFFFAOYSA-N
MW170.10 g/mol
LogP-1.46
Rot. Bonds4

About 3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol

3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol (PubChem CID 90085128) has the molecular formula C4H11O5P and a molecular weight of 170.10 g/mol. Its IUPAC name is 3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol.

Molecular Properties

Compound Name3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol
PubChem CID90085128
Molecular FormulaC4H11O5P
Molecular Weight170.10 g/mol
Exact Mass170.03
IUPAC Name3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol
SMILESC=P(O)(O)OCC(O)CO
InChIInChI=1S/C4H11O5P/c1-10(7,8)9-3-4(6)2-5/h4-8H,1-3H2
InChIKeyABPKESIERYTISL-UHFFFAOYSA-N
XLogP-1.46
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.10
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxypropyl dihydrogen phosphate;hydrate
CID 88718153
CID 175855975
CID 175855975
[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
CID 54575234
2,3-dihydroxypropyl dihydrogen phosphate;zinc
CID 88760413
trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride
CID 174390583
potassium 2,3-dihydroxypropyl hydrogen phosphate
CID 23691990
disodium;[(2R)-2,3-dihydroxypropyl] phosphate
CID 73416363
[(2S)-2,3-dihydroxypropyl] phosphate
CID 7048685
2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene
CID 87845126
2,3-dihydroxypropyl dihydrogen phosphate;2-methylprop-2-enoic acid
CID 159257312
[(2S)-3-[[(2R)-3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropoxy]-methylphosphoryl]oxy-2-hydroxypropyl] [(2R)-2-hydroxy-3-phosphonooxypropyl] hydrogen phosphate
CID 89473518
dipotassium;2,3-dihydroxypropyl phosphate;trihydrate
CID 23617466

Frequently Asked Questions

What is the IUPAC name of 3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol?
The IUPAC name of 3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol (CID 90085128) is 3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol.
What is the SMILES notation for 3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol?
The canonical SMILES for 3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol is C=P(O)(O)OCC(O)CO.
What is the InChIKey of 3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol?
The InChIKey is ABPKESIERYTISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11O5P/c1-10(7,8)9-3-4(6)2-5/h4-8H,1-3H2.
What are the key properties of 3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol?
3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol has a molecular weight of 170.10 g/mol, XLogP of -1.46, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dihydroxy(methylidene)-λ5-phosphanyl]oxypropane-1,2-diol is sourced from PubChem (CID 90085128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).