(3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate

C6H13O6P — CID 23594182

IUPAC(3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate
SMILESCC1CC(O)C(COP(=O)(O)O)O1
InChIInChI=1S/C6H13O6P/c1-4-2-5(7)6(12-4)3-11-13(8,9)10/h4-7H,2-3H2,1H3,(H2,8,9,10)
InChIKeyHFCOQGVIBICPHC-UHFFFAOYSA-N
MW212.14 g/mol
LogP-0.37
Rot. Bonds3

About (3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate

(3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate (PubChem CID 23594182) has the molecular formula C6H13O6P and a molecular weight of 212.14 g/mol. Its IUPAC name is (3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate.

Molecular Properties

Compound Name(3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate
PubChem CID23594182
Molecular FormulaC6H13O6P
Molecular Weight212.14 g/mol
Exact Mass212.04
IUPAC Name(3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate
SMILESCC1CC(O)C(COP(=O)(O)O)O1
InChIInChI=1S/C6H13O6P/c1-4-2-5(7)6(12-4)3-11-13(8,9)10/h4-7H,2-3H2,1H3,(H2,8,9,10)
InChIKeyHFCOQGVIBICPHC-UHFFFAOYSA-N
XLogP-0.37
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.14
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

hydroxy-[[[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]methyl]phosphinate
CID 159122969
2-[[hydroxy-[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxyphosphinothioyl]oxymethyl]-5-methyloxolan-3-ol
CID 22894604
N-[[(2R,5S)-3-hydroxy-5-methyloxolan-2-yl]methyl]-[hydroxy(phosphonooxy)phosphoryl]oxyphosphonamidic acid
CID 59905577
[(2R,3S,4R)-3,4-dihydroxy-5-methyloxolan-2-yl]methyl dihydrogen phosphate
CID 166808827
[10-azidodecoxy(hydroxy)phosphoryl] [hydroxy-[hydroxy-[hydroxy-[hydroxy-[[(2S,5R)-3-hydroxy-5-methyloxolan-2-yl]methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate
CID 140846449
[11-azidoundecoxy(hydroxy)phosphoryl] [hydroxy-[hydroxy-[hydroxy-[hydroxy-[(3-hydroxy-5-methyloxolan-2-yl)methoxy]phosphoryl]oxyphosphoryl]oxyphosphoryl]oxyphosphoryl] hydrogen phosphate
CID 155648275
(2-ethyl-5-methyloxolan-3-yl) [3-[(3-hydroxy-5-methyloxolan-2-yl)methoxy-(2-isocyanoethoxy)phosphoryl]oxy-5-methyloxolan-2-yl]methyl 2-isocyanoethyl phosphate
CID 158467306
CID 156592060
CID 156592060
(2R,3S)-2-ethyl-5-methyloxolan-3-ol
CID 174181244
(2S,3R,5R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 59795765
(2R)-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 88979913
2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol
CID 22894603

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate?
The IUPAC name of (3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate (CID 23594182) is (3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate.
What is the SMILES notation for (3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate?
The canonical SMILES for (3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate is CC1CC(O)C(COP(=O)(O)O)O1.
What is the InChIKey of (3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate?
The InChIKey is HFCOQGVIBICPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13O6P/c1-4-2-5(7)6(12-4)3-11-13(8,9)10/h4-7H,2-3H2,1H3,(H2,8,9,10).
What are the key properties of (3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate?
(3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate has a molecular weight of 212.14 g/mol, XLogP of -0.37, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-5-methyloxolan-2-yl)methyl dihydrogen phosphate is sourced from PubChem (CID 23594182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).