CID 58971764

C7H13O7P- — CID 58971764

IUPAC—
SMILESCOCC(O)C([CH]C=O)OP(=O)([O-])OC
InChIInChI=1S/C7H14O7P/c1-12-5-6(9)7(3-4-8)14-15(10,11)13-2/h3-4,6-7,9H,5H2,1-2H3,(H,10,11)/p-1
InChIKeyASSMQCQWLPHGGD-UHFFFAOYSA-M
MW240.15 g/mol
LogP-1.10
Rot. Bonds8

About CID 58971764

CID 58971764 (PubChem CID 58971764) has the molecular formula C7H13O7P- and a molecular weight of 240.15 g/mol.

Molecular Properties

Compound NameCID 58971764
PubChem CID58971764
Molecular FormulaC7H13O7P-
Molecular Weight240.15 g/mol
Exact Mass240.04
IUPAC Name—
SMILESCOCC(O)C([CH]C=O)OP(=O)([O-])OC
InChIInChI=1S/C7H14O7P/c1-12-5-6(9)7(3-4-8)14-15(10,11)13-2/h3-4,6-7,9H,5H2,1-2H3,(H,10,11)/p-1
InChIKeyASSMQCQWLPHGGD-UHFFFAOYSA-M
XLogP-1.10
TPSA105.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.15
LogP ≤ 5-1.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

CID 59914615
CID 59914615
[(E)-4-hydroxy-5-methoxy-1-oxidopent-1-en-3-yl] methyl phosphate;(Z)-4-hydroxy-5-methoxypent-2-enal;methyl hydrogen phosphate
CID 159393563
[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphate
CID 54421134
4-hydroxy-3,5-dimethoxypentanal
CID 18716519
(4R)-4-hydroxy-3,5-dimethoxypentanal
CID 88555944
phosphanium dimethyl phosphate
CID 118555188
lithium [1-hexadecoxy-3-(2,2,2-trifluoroethoxy)propan-2-yl] methyl phosphate
CID 4214
dimethyl phosphate;1-[methoxy(oxido)phosphoryl]oxypropyl methyl phosphate;sulfanylidenephosphane
CID 157095571
2,5-dihydroxy-3,4,6-trimethoxyhexanal
CID 18533991
aminomethyl methyl phosphate
CID 123377325
1-(diaminomethylideneamino)ethyl methyl phosphate
CID 21145072
(1S)-1-di(propan-2-yloxy)phosphoryl-2-methoxyethanol
CID 125471706

Frequently Asked Questions

What is the IUPAC name of CID 58971764?
The IUPAC name of CID 58971764 (CID 58971764) is not available.
What is the SMILES notation for CID 58971764?
The canonical SMILES for CID 58971764 is COCC(O)C([CH]C=O)OP(=O)([O-])OC.
What is the InChIKey of CID 58971764?
The InChIKey is ASSMQCQWLPHGGD-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14O7P/c1-12-5-6(9)7(3-4-8)14-15(10,11)13-2/h3-4,6-7,9H,5H2,1-2H3,(H,10,11)/p-1.
What are the key properties of CID 58971764?
CID 58971764 has a molecular weight of 240.15 g/mol, XLogP of -1.10, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58971764 is sourced from PubChem (CID 58971764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).