2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene

C9H19O7P — CID 87845126

IUPAC2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.O=P(O)(O)OCC(O)CO
InChIInChI=1S/C6H10O.C3H9O6P/c1-3-5-7-6-4-2;4-1-3(5)2-9-10(6,7)8/h3-4H,1-2,5-6H2;3-5H,1-2H2,(H2,6,7,8)
InChIKeyNLBGTEGVOIDCFW-UHFFFAOYSA-N
MW270.22 g/mol
LogP-0.18
Rot. Bonds8

About 2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene

2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene (PubChem CID 87845126) has the molecular formula C9H19O7P and a molecular weight of 270.22 g/mol. Its IUPAC name is 2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene
PubChem CID87845126
Molecular FormulaC9H19O7P
Molecular Weight270.22 g/mol
Exact Mass270.09
IUPAC Name2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.O=P(O)(O)OCC(O)CO
InChIInChI=1S/C6H10O.C3H9O6P/c1-3-5-7-6-4-2;4-1-3(5)2-9-10(6,7)8/h3-4H,1-2,5-6H2;3-5H,1-2H2,(H2,6,7,8)
InChIKeyNLBGTEGVOIDCFW-UHFFFAOYSA-N
XLogP-0.18
TPSA116.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 5-0.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxypropyl dihydrogen phosphate;hydrate
CID 88718153
2,3-dihydroxypropyl dihydrogen phosphate;zinc
CID 88760413
trimagnesium;2,3-dihydroxypropyl dihydrogen phosphate;hydride
CID 174390583
bis(phosphoryl trichloride);3-prop-2-enoxypropane-1,2-diol
CID 174422738
2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoyloxypropyl prop-2-enoate
CID 174926812
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
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
3-prop-2-enoxyprop-1-ene;3-sulfanylpropane-1,2-diol
CID 174776061
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
sodium;hydride;propane-1,2,3-triol;3-prop-2-enoxyprop-1-ene
CID 173191525
2,3-bis(prop-2-enoxy)propyl dihydrogen phosphate
CID 174891666

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene?
The IUPAC name of 2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene (CID 87845126) is 2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for 2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for 2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.O=P(O)(O)OCC(O)CO.
What is the InChIKey of 2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene?
The InChIKey is NLBGTEGVOIDCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C3H9O6P/c1-3-5-7-6-4-2;4-1-3(5)2-9-10(6,7)8/h3-4H,1-2,5-6H2;3-5H,1-2H2,(H2,6,7,8).
What are the key properties of 2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene?
2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene has a molecular weight of 270.22 g/mol, XLogP of -0.18, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroxypropyl dihydrogen phosphate;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 87845126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).