CID 87141403

C3H6O7P2 — CID 87141403

IUPAC—
SMILESO=P(=O)OCC(CO)OP(=O)=O
InChIInChI=1S/C3H6O7P2/c4-1-3(10-12(7)8)2-9-11(5)6/h3-4H,1-2H2
InChIKeyIBVCFSOPXQZOTN-UHFFFAOYSA-N
MW216.02 g/mol
LogP0.56
Rot. Bonds6

About CID 87141403

CID 87141403 (PubChem CID 87141403) has the molecular formula C3H6O7P2 and a molecular weight of 216.02 g/mol.

Molecular Properties

Compound NameCID 87141403
PubChem CID87141403
Molecular FormulaC3H6O7P2
Molecular Weight216.02 g/mol
Exact Mass215.96
IUPAC Name—
SMILESO=P(=O)OCC(CO)OP(=O)=O
InChIInChI=1S/C3H6O7P2/c4-1-3(10-12(7)8)2-9-11(5)6/h3-4H,1-2H2
InChIKeyIBVCFSOPXQZOTN-UHFFFAOYSA-N
XLogP0.56
TPSA106.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.02
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropoxy]propane-1,3-diol
CID 134863100
2-(hydroxymethoxy)propane-1,3-diol
CID 59644967
(2-dodecanoyloxy-3-hydroxypropoxy)boronic acid
CID 54478442
2-phosphorosooxybutane-1,4-diol
CID 174758189
(1-amino-3-hydroxypropan-2-yl)oxyphosphonamidous acid
CID 54128951
2-[2-[2-[2-[3-[1-[1,3-bis(1,3-dihydroxypropan-2-yloxy)propan-2-yloxy]-3-[1-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(1,3-dihydroxypropan-2-yloxy)-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-(1,3-dihydroxypropan-2-yloxy)propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]propane-1,3-diol
CID 89349229
[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] pentadecanoate
CID 59520968
[(2R)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] tetradecanoate
CID 59520994
[(2S)-1-hydroxy-3-(hydroxymethoxy)propan-2-yl] hexadecanoate
CID 59520981
2,3-diaminooxypropan-1-ol
CID 57423862
2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propane-1,3-diol
CID 134863020
3-chloro-2-(3-chloro-2-hydroxypropoxy)propan-1-ol
CID 90003830

Frequently Asked Questions

What is the IUPAC name of CID 87141403?
The IUPAC name of CID 87141403 (CID 87141403) is not available.
What is the SMILES notation for CID 87141403?
The canonical SMILES for CID 87141403 is O=P(=O)OCC(CO)OP(=O)=O.
What is the InChIKey of CID 87141403?
The InChIKey is IBVCFSOPXQZOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O7P2/c4-1-3(10-12(7)8)2-9-11(5)6/h3-4H,1-2H2.
What are the key properties of CID 87141403?
CID 87141403 has a molecular weight of 216.02 g/mol, XLogP of 0.56, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87141403 is sourced from PubChem (CID 87141403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).