CID 133112741

C6H14KO12P2 — CID 133112741

IUPAC—
SMILESO=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O.[K]
InChIInChI=1S/C6H14O12P2.K/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15;/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15);
InChIKeyJMHWFFSXXNPDRD-UHFFFAOYSA-N
MW379.21 g/mol
LogP-3.37
Rot. Bonds5

About CID 133112741

CID 133112741 (PubChem CID 133112741) has the molecular formula C6H14KO12P2 and a molecular weight of 379.21 g/mol.

Molecular Properties

Compound NameCID 133112741
PubChem CID133112741
Molecular FormulaC6H14KO12P2
Molecular Weight379.21 g/mol
Exact Mass378.96
IUPAC Name—
SMILESO=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O.[K]
InChIInChI=1S/C6H14O12P2.K/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15;/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15);
InChIKeyJMHWFFSXXNPDRD-UHFFFAOYSA-N
XLogP-3.37
TPSA203.44 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.21
LogP ≤ 5-3.37
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze CID 133112741 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,4R,5S)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] dihydrogen phosphate
CID 123165399
[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(phosphonooxymethyl)oxan-2-yl] hydrogen phosphate
CID 46936503
bis[[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl]oxy]phosphoryl bis[(2R,3R,4S,5R)-3,4-dihydroxy-5-(phosphonooxymethyl)oxolan-2-yl] phosphate
CID 87535899
[(2R,3S,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 12773693
[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 67794900
[(2S,4S,5R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] dihydrogen phosphate
CID 58434201
[(3S,6R)-3,4,5-trihydroxy-6-[(2R,4S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl dihydrogen phosphate
CID 70905911
[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxan-2-yl]methyl dihydrogen phosphate
CID 91858270
[(2R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl] dihydrogen phosphate
CID 134857855
CID 131865245
CID 131865245
[(2R,4S,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 91746440
[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 167077165

Frequently Asked Questions

What is the IUPAC name of CID 133112741?
The IUPAC name of CID 133112741 (CID 133112741) is not available.
What is the SMILES notation for CID 133112741?
The canonical SMILES for CID 133112741 is O=P(O)(O)OCC1OC(OP(=O)(O)O)C(O)C(O)C1O.[K].
What is the InChIKey of CID 133112741?
The InChIKey is JMHWFFSXXNPDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O12P2.K/c7-3-2(1-16-19(10,11)12)17-6(5(9)4(3)8)18-20(13,14)15;/h2-9H,1H2,(H2,10,11,12)(H2,13,14,15);.
What are the key properties of CID 133112741?
CID 133112741 has a molecular weight of 379.21 g/mol, XLogP of -3.37, 5 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 133112741 is sourced from PubChem (CID 133112741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).