[(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-phosphonooxypentan-2-yl] dihydrogen phosphate

C5H12O11P2 — CID 88508016

IUPAC[(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-phosphonooxypentan-2-yl] dihydrogen phosphate
SMILESO=C[C@@H](O)[C@@H](O)[C@@H](COP(=O)(O)O)OP(=O)(O)O
InChIInChI=1S/C5H12O11P2/c6-1-3(7)5(8)4(16-18(12,13)14)2-15-17(9,10)11/h1,3-5,7-8H,2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-/m1/s1
InChIKeyYQZKWYPGYBCNQJ-UOWFLXDJSA-N
MW310.09 g/mol
LogP-2.51
Rot. Bonds8

About [(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-phosphonooxypentan-2-yl] dihydrogen phosphate

[(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-phosphonooxypentan-2-yl] dihydrogen phosphate (PubChem CID 88508016) has the molecular formula C5H12O11P2 and a molecular weight of 310.09 g/mol. Its IUPAC name is [(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-phosphonooxypentan-2-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-phosphonooxypentan-2-yl] dihydrogen phosphate
PubChem CID88508016
Molecular FormulaC5H12O11P2
Molecular Weight310.09 g/mol
Exact Mass309.99
IUPAC Name[(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-phosphonooxypentan-2-yl] dihydrogen phosphate
SMILESO=C[C@@H](O)[C@@H](O)[C@@H](COP(=O)(O)O)OP(=O)(O)O
InChIInChI=1S/C5H12O11P2/c6-1-3(7)5(8)4(16-18(12,13)14)2-15-17(9,10)11/h1,3-5,7-8H,2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-/m1/s1
InChIKeyYQZKWYPGYBCNQJ-UOWFLXDJSA-N
XLogP-2.51
TPSA191.05 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.09
LogP ≤ 5-2.51
H-Bond Donors ≤ 56
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

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CID 84951
Fructose 6-phosphate
CID 69507
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CID 439184
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CID 122357
D-Arabinose 5-phosphate
CID 188324
Fructose 1-phosphate
CID 65246
Ribose 5-phosphate
CID 77982
Arabinonate-5-phosphate
CID 191445
Mannose 6-phosphate
CID 6101690
Ribulose 1,5-bisphosphate
CID 123658
D-xylulose 5-phosphate
CID 439190
Glucose-6-Phosphate
CID 439958

Frequently Asked Questions

What is the IUPAC name of [(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-phosphonooxypentan-2-yl] dihydrogen phosphate?
The IUPAC name of [(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-phosphonooxypentan-2-yl] dihydrogen phosphate (CID 88508016) is [(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-phosphonooxypentan-2-yl] dihydrogen phosphate.
What is the SMILES notation for [(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-phosphonooxypentan-2-yl] dihydrogen phosphate?
The canonical SMILES for [(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-phosphonooxypentan-2-yl] dihydrogen phosphate is O=C[C@@H](O)[C@@H](O)[C@@H](COP(=O)(O)O)OP(=O)(O)O.
What is the InChIKey of [(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-phosphonooxypentan-2-yl] dihydrogen phosphate?
The InChIKey is YQZKWYPGYBCNQJ-UOWFLXDJSA-N. The full InChI is InChI=1S/C5H12O11P2/c6-1-3(7)5(8)4(16-18(12,13)14)2-15-17(9,10)11/h1,3-5,7-8H,2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-/m1/s1.
What are the key properties of [(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-phosphonooxypentan-2-yl] dihydrogen phosphate?
[(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-phosphonooxypentan-2-yl] dihydrogen phosphate has a molecular weight of 310.09 g/mol, XLogP of -2.51, 8 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,4S)-3,4-dihydroxy-5-oxo-1-phosphonooxypentan-2-yl] dihydrogen phosphate is sourced from PubChem (CID 88508016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).