CID 175855975

C6H15NaO8P — CID 175855975

IUPAC—
SMILESO=P(O)(OCC(O)CO)OCC(O)CO.[Na]
InChIInChI=1S/C6H15O8P.Na/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8;/h5-10H,1-4H2,(H,11,12);
InChIKeyFFMNQIABXYBZAB-UHFFFAOYSA-N
MW269.14 g/mol
LogP-2.55
Rot. Bonds8

About CID 175855975

CID 175855975 (PubChem CID 175855975) has the molecular formula C6H15NaO8P and a molecular weight of 269.14 g/mol.

Molecular Properties

Compound NameCID 175855975
PubChem CID175855975
Molecular FormulaC6H15NaO8P
Molecular Weight269.14 g/mol
Exact Mass269.04
IUPAC Name—
SMILESO=P(O)(OCC(O)CO)OCC(O)CO.[Na]
InChIInChI=1S/C6H15O8P.Na/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8;/h5-10H,1-4H2,(H,11,12);
InChIKeyFFMNQIABXYBZAB-UHFFFAOYSA-N
XLogP-2.55
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.14
LogP ≤ 5-2.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[3-[[(2S)-2,3-dihydroxypropoxy]-hydroxyphosphoryl]oxy-2-hydroxypropyl] [(2R)-2,3-dihydroxypropyl] hydrogen phosphate
CID 54575234
[(2R)-3-[2,3-dihydroxypropoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] acetate
CID 153447851
[(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
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
potassium 2,3-dihydroxypropyl hydrogen phosphate
CID 23691990
[bis(2-hydroxyethyl)amino] 2,3-dihydroxypropyl hydrogen phosphate
CID 175400653
disodium;[(2R)-2,3-dihydroxypropyl] phosphate
CID 73416363
[(2S)-2,3-dihydroxypropyl] phosphate
CID 7048685
2,3-dihydroxypropyl 3-formamidopropyl hydrogen phosphate
CID 144571535
2,3-dihydroxypropyl 16-methylheptadecyl hydrogen phosphate
CID 87276102

Frequently Asked Questions

What is the IUPAC name of CID 175855975?
The IUPAC name of CID 175855975 (CID 175855975) is not available.
What is the SMILES notation for CID 175855975?
The canonical SMILES for CID 175855975 is O=P(O)(OCC(O)CO)OCC(O)CO.[Na].
What is the InChIKey of CID 175855975?
The InChIKey is FFMNQIABXYBZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15O8P.Na/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8;/h5-10H,1-4H2,(H,11,12);.
What are the key properties of CID 175855975?
CID 175855975 has a molecular weight of 269.14 g/mol, XLogP of -2.55, 8 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175855975 is sourced from PubChem (CID 175855975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).