CID 88618709

C2H8NaO7P2 — CID 88618709

IUPAC—
SMILESO=P(O)(O)CC(O)P(=O)(O)O.[Na]
InChIInChI=1S/C2H8O7P2.Na/c3-2(11(7,8)9)1-10(4,5)6;/h2-3H,1H2,(H2,4,5,6)(H2,7,8,9);
InChIKeyMEUIXFZVDLEKCF-UHFFFAOYSA-N
MW229.02 g/mol
LogP-1.72
Rot. Bonds3

About CID 88618709

CID 88618709 (PubChem CID 88618709) has the molecular formula C2H8NaO7P2 and a molecular weight of 229.02 g/mol.

Molecular Properties

Compound NameCID 88618709
PubChem CID88618709
Molecular FormulaC2H8NaO7P2
Molecular Weight229.02 g/mol
Exact Mass228.96
IUPAC Name—
SMILESO=P(O)(O)CC(O)P(=O)(O)O.[Na]
InChIInChI=1S/C2H8O7P2.Na/c3-2(11(7,8)9)1-10(4,5)6;/h2-3H,1H2,(H2,4,5,6)(H2,7,8,9);
InChIKeyMEUIXFZVDLEKCF-UHFFFAOYSA-N
XLogP-1.72
TPSA135.29 Ų
H-Bond Donors5
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.02
LogP ≤ 5-1.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

hydrazine;(1-hydroxy-2-phosphonoethyl)phosphonic acid
CID 158563250
(2-hydroxy-2-phosphonoethyl)-trimethylazanium
CID 19437707
1-hydroxypropylphosphonic acid
CID 12625401
(1-hydroxy-3,3-diphosphonopropyl)phosphonic acid
CID 6452463
calcium;(2-hydroxy-2-phosphonoethyl)-trimethylazanium;tetrahydrate
CID 23618348
dihydroxymethylphosphonic acid
CID 13034651
1,2-dihydroxyethylphosphonic acid;dihydroxy(oxo)phosphanium
CID 87424977
[1-hydroxy-2-(methylamino)ethyl]phosphonic acid
CID 22237910
[(2R)-1-phosphonopropan-2-yl]phosphonic acid
CID 7566477
1-phosphonopropan-2-ylphosphonic acid
CID 22023450
3-hydroxy-4-phosphonobutanoic acid
CID 14010317
[(2S)-1,2,3-trihydroxypropyl]phosphonic acid
CID 18603786

Frequently Asked Questions

What is the IUPAC name of CID 88618709?
The IUPAC name of CID 88618709 (CID 88618709) is not available.
What is the SMILES notation for CID 88618709?
The canonical SMILES for CID 88618709 is O=P(O)(O)CC(O)P(=O)(O)O.[Na].
What is the InChIKey of CID 88618709?
The InChIKey is MEUIXFZVDLEKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8O7P2.Na/c3-2(11(7,8)9)1-10(4,5)6;/h2-3H,1H2,(H2,4,5,6)(H2,7,8,9);.
What are the key properties of CID 88618709?
CID 88618709 has a molecular weight of 229.02 g/mol, XLogP of -1.72, 3 rotatable bonds, 5 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88618709 is sourced from PubChem (CID 88618709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).