phospho-fructose phosphate

C6H8O12P2 — CID 132991030

IUPAC—
SMILESO=P(=O)C12O[C@@](O)(CO)[C@@H](O)[C@@]3(O)OP(=O)(O1)OC23O
InChIInChI=1S/C6H8O12P2/c7-1-3(9)2(8)4(10)5(11)6(15-3,19(12)13)18-20(14,16-4)17-5/h2,7-11H,1H2/t2-,3+,4-,5?,6?,20?/m1/s1
InChIKeyAXZPMEHEJIHSDB-GDDDZJRMSA-N
MW334.07 g/mol
LogP-2.55
Rot. Bonds2

About phospho-fructose phosphate

phospho-fructose phosphate (PubChem CID 132991030) has the molecular formula C6H8O12P2 and a molecular weight of 334.07 g/mol.

Molecular Properties

Compound Namephospho-fructose phosphate
PubChem CID132991030
Molecular FormulaC6H8O12P2
Molecular Weight334.07 g/mol
Exact Mass333.95
IUPAC Name—
SMILESO=P(=O)C12O[C@@](O)(CO)[C@@H](O)[C@@]3(O)OP(=O)(O1)OC23O
InChIInChI=1S/C6H8O12P2/c7-1-3(9)2(8)4(10)5(11)6(15-3,19(12)13)18-20(14,16-4)17-5/h2,7-11H,1H2/t2-,3+,4-,5?,6?,20?/m1/s1
InChIKeyAXZPMEHEJIHSDB-GDDDZJRMSA-N
XLogP-2.55
TPSA189.28 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.07
LogP ≤ 5-2.55
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

(3S,4S)-3,4,5-trihydroxy-5-(hydroxymethyl)oxolan-2-one
CID 131122985
(4S,5R,6R)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-one
CID 11378826
(4S,5S,6S)-4,5,6-trihydroxy-6-(hydroxymethyl)oxan-3-one
CID 25119139
(3S,4S,5S)-3,4,5,6-tetrahydroxy-6-(hydroxymethyl)oxan-2-one
CID 175694437
(1S,3S,4S,5S)-1,3-bis(hydroxymethyl)-2,6,7-trioxabicyclo[3.2.0]heptane-3,4-diol
CID 172914148
2,2,5-trifluoro-4-(hydroxymethyl)-1,3-dioxolan-4-ol
CID 131967198
(2R,3S,4S)-2-(hydroxymethyl)oxane-2,3,4,5,5-pentol
CID 130771848
2,3-bis(hydroxymethyl)oxiran-2-ol
CID 141376073
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 174522323
5-(aminomethyl)-2-(hydroxymethyl)-4-methyloxolane-2,3-diol;ethane
CID 177060046
(3S,4R,5S)-2-(hydroxymethyl)(513C)oxane-2,3,4,5-tetrol
CID 90472720
(4S,5S)-2-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 71751872

Frequently Asked Questions

What is the IUPAC name of phospho-fructose phosphate?
The IUPAC name of phospho-fructose phosphate (CID 132991030) is not available.
What is the SMILES notation for phospho-fructose phosphate?
The canonical SMILES for phospho-fructose phosphate is O=P(=O)C12O[C@@](O)(CO)[C@@H](O)[C@@]3(O)OP(=O)(O1)OC23O.
What is the InChIKey of phospho-fructose phosphate?
The InChIKey is AXZPMEHEJIHSDB-GDDDZJRMSA-N. The full InChI is InChI=1S/C6H8O12P2/c7-1-3(9)2(8)4(10)5(11)6(15-3,19(12)13)18-20(14,16-4)17-5/h2,7-11H,1H2/t2-,3+,4-,5?,6?,20?/m1/s1.
What are the key properties of phospho-fructose phosphate?
phospho-fructose phosphate has a molecular weight of 334.07 g/mol, XLogP of -2.55, 2 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for phospho-fructose phosphate is sourced from PubChem (CID 132991030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).