[(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate

C5H13O6P — CID 11820087

IUPAC[(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate
SMILESO=P(O)(O)O[C@@H](CO)CCCO
InChIInChI=1S/C5H13O6P/c6-3-1-2-5(4-7)11-12(8,9)10/h5-7H,1-4H2,(H2,8,9,10)/t5-/m1/s1
InChIKeyWDMOSYZCLNXAHY-RXMQYKEDSA-N
MW200.13 g/mol
LogP-0.77
Rot. Bonds6

About [(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate

[(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate (PubChem CID 11820087) has the molecular formula C5H13O6P and a molecular weight of 200.13 g/mol. Its IUPAC name is [(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate.

Molecular Properties

Compound Name[(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate
PubChem CID11820087
Molecular FormulaC5H13O6P
Molecular Weight200.13 g/mol
Exact Mass200.04
IUPAC Name[(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate
SMILESO=P(O)(O)O[C@@H](CO)CCCO
InChIInChI=1S/C5H13O6P/c6-3-1-2-5(4-7)11-12(8,9)10/h5-7H,1-4H2,(H2,8,9,10)/t5-/m1/s1
InChIKeyWDMOSYZCLNXAHY-RXMQYKEDSA-N
XLogP-0.77
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.13
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrate
CID 87339506
disodium;1,3-dihydroxypropan-2-yl dihydrogen phosphate;hydrogen phosphate
CID 172694336
1-hydroxyoctadecan-3-yl dihydrogen phosphate
CID 139888263
dotriacontan-16-yl dihydrogen phosphate
CID 87532136
pentadecan-6-yl dihydrogen phosphate
CID 22719349
azane;decan-5-yl dihydrogen phosphate
CID 88685768
potassium;hydride;tetratriacontan-17-yl dihydrogen phosphate
CID 173113859
copper;octan-3-yl dihydrogen phosphate
CID 174493101
henicosan-4-yl dihydrogen phosphate
CID 175269897
heptan-4-yl dihydrogen phosphate
CID 18763997
(1-hydroxy-3-octadecoxypropan-2-yl) dihydrogen phosphate
CID 18943334
2-phosphonooxydecylazanium
CID 102322927

Frequently Asked Questions

What is the IUPAC name of [(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate?
The IUPAC name of [(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate (CID 11820087) is [(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate.
What is the SMILES notation for [(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate?
The canonical SMILES for [(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate is O=P(O)(O)O[C@@H](CO)CCCO.
What is the InChIKey of [(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate?
The InChIKey is WDMOSYZCLNXAHY-RXMQYKEDSA-N. The full InChI is InChI=1S/C5H13O6P/c6-3-1-2-5(4-7)11-12(8,9)10/h5-7H,1-4H2,(H2,8,9,10)/t5-/m1/s1.
What are the key properties of [(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate?
[(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate has a molecular weight of 200.13 g/mol, XLogP of -0.77, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,5-dihydroxypentan-2-yl] dihydrogen phosphate is sourced from PubChem (CID 11820087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).