[(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate

C6H13O6P — CID 88886753

IUPAC[(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate
SMILESC=C(C)[C@@H](O)[C@H](O)COP(=O)(O)O
InChIInChI=1S/C6H13O6P/c1-4(2)6(8)5(7)3-12-13(9,10)11/h5-8H,1,3H2,2H3,(H2,9,10,11)/t5-,6-/m1/s1
InChIKeyFUCGQDZVQVLFEV-PHDIDXHHSA-N
MW212.14 g/mol
LogP-0.61
Rot. Bonds5

About [(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate

[(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate (PubChem CID 88886753) has the molecular formula C6H13O6P and a molecular weight of 212.14 g/mol. Its IUPAC name is [(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate
PubChem CID88886753
Molecular FormulaC6H13O6P
Molecular Weight212.14 g/mol
Exact Mass212.04
IUPAC Name[(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate
SMILESC=C(C)[C@@H](O)[C@H](O)COP(=O)(O)O
InChIInChI=1S/C6H13O6P/c1-4(2)6(8)5(7)3-12-13(9,10)11/h5-8H,1,3H2,2H3,(H2,9,10,11)/t5-,6-/m1/s1
InChIKeyFUCGQDZVQVLFEV-PHDIDXHHSA-N
XLogP-0.61
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S,3R)-2,3-dihydroxy-4-oxo(1,2,3-13C3)pentyl] dihydrogen phosphate
CID 135481610
[(2R,3S)-2,3-dihydroxy-4-oxo(1,2,3-13C3)pentyl] dihydrogen phosphate
CID 10656380
[(2R,3S)-2,3-dihydroxy-4-oxo(1,2,3,4,5-13C5)pentyl] dihydrogen phosphate
CID 10822726
[(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxoheptyl] dihydrogen phosphate
CID 15942876
[(2R,3S)-2,3-dihydroxy-4-methoxybutyl] dihydrogen phosphate
CID 54421134
[(2S,3S)-2,3-dihydroxy-4-oxo-5-phosphonooxypentyl] dihydrogen phosphate
CID 53481986
3-methylbut-3-enyl (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-phosphonooxyhexanoate
CID 176837992
[(2R,3S)-5,5,5-trifluoro-2,3-dihydroxy-4-oxopentyl] dihydrogen phosphate
CID 11300138
[(2R,3R,4S)-2,3,4-trihydroxy-5-oxoheptyl] dihydrogen phosphate
CID 102452330
2,3,4-trihydroxy-5-phosphonooxypentanoic acid
CID 3283969
[(2R,3R,4R,5S)-2,3,4,5-tetrahydroxy-6-oxooctyl] dihydrogen phosphate
CID 132606689
[(3S,4R)-3,4-dihydroxy-2-oxo-5-phosphonooxypentyl] hydroxy hydrogen phosphate
CID 171125487

Frequently Asked Questions

What is the IUPAC name of [(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate?
The IUPAC name of [(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate (CID 88886753) is [(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate.
What is the SMILES notation for [(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate?
The canonical SMILES for [(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate is C=C(C)[C@@H](O)[C@H](O)COP(=O)(O)O.
What is the InChIKey of [(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate?
The InChIKey is FUCGQDZVQVLFEV-PHDIDXHHSA-N. The full InChI is InChI=1S/C6H13O6P/c1-4(2)6(8)5(7)3-12-13(9,10)11/h5-8H,1,3H2,2H3,(H2,9,10,11)/t5-,6-/m1/s1.
What are the key properties of [(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate?
[(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate has a molecular weight of 212.14 g/mol, XLogP of -0.61, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R)-2,3-dihydroxy-4-methylpent-4-enyl] dihydrogen phosphate is sourced from PubChem (CID 88886753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).