(4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate

C15H28O7P- — CID 59148899

IUPAC(4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate
SMILESCC(C)C[C@H]1O[C@@H](C)[C@H](O)[C@@H]1OP(=O)([O-])OC1CCC(O)CC1
InChIInChI=1S/C15H29O7P/c1-9(2)8-13-15(14(17)10(3)20-13)22-23(18,19)21-12-6-4-11(16)5-7-12/h9-17H,4-8H2,1-3H3,(H,18,19)/p-1/t10-,11?,12?,13+,14-,15+/m0/s1
InChIKeyRGTUHNVOTXRKIK-GCDWZHDASA-M
MW351.36 g/mol
LogP1.35
Rot. Bonds6

About (4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate

(4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate (PubChem CID 59148899) has the molecular formula C15H28O7P- and a molecular weight of 351.36 g/mol. Its IUPAC name is (4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate.

Molecular Properties

Compound Name(4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate
PubChem CID59148899
Molecular FormulaC15H28O7P-
Molecular Weight351.36 g/mol
Exact Mass351.16
IUPAC Name(4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate
SMILESCC(C)C[C@H]1O[C@@H](C)[C@H](O)[C@@H]1OP(=O)([O-])OC1CCC(O)CC1
InChIInChI=1S/C15H29O7P/c1-9(2)8-13-15(14(17)10(3)20-13)22-23(18,19)21-12-6-4-11(16)5-7-12/h9-17H,4-8H2,1-3H3,(H,18,19)/p-1/t10-,11?,12?,13+,14-,15+/m0/s1
InChIKeyRGTUHNVOTXRKIK-GCDWZHDASA-M
XLogP1.35
TPSA108.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]ethyl [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate
CID 59148897
[(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] 3-hydroxypropyl hydrogen phosphate
CID 59148902
(3S,4S,6R)-2-methyl-6-(2-methylpropyl)oxane-3,4,5-triol
CID 118580383
[(2R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
CID 59905543
[(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
CID 59991690
[(2R,4R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl phosphate;tungsten
CID 59991686
[hydroxy-[2-(4-hydroxy-5-methyl-3-phosphonooxyoxolan-2-yl)ethyl]-oxidophosphaniumyl] sulfate
CID 59086965
(2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol
CID 58584292
[(2R,3R,5S)-3-[[(2R,3R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methoxy-oxidophosphoryl]oxy-4,5-dimethyloxolan-2-yl]methyl [(2R,3R,5S)-2-(hydroxymethyl)-4,5-dimethyloxolan-3-yl] phosphate
CID 59154052
[[(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,3R,5S)-4-hydroxy-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]phosphoryl]boranuide
CID 152811134
disodium;[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate
CID 67062860
disodium;[(2R,4S,5S)-3,4,5-trihydroxy-6-methyloxan-2-yl] phosphate
CID 140523799

Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate?
The IUPAC name of (4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate (CID 59148899) is (4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate.
What is the SMILES notation for (4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate?
The canonical SMILES for (4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate is CC(C)C[C@H]1O[C@@H](C)[C@H](O)[C@@H]1OP(=O)([O-])OC1CCC(O)CC1.
What is the InChIKey of (4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate?
The InChIKey is RGTUHNVOTXRKIK-GCDWZHDASA-M. The full InChI is InChI=1S/C15H29O7P/c1-9(2)8-13-15(14(17)10(3)20-13)22-23(18,19)21-12-6-4-11(16)5-7-12/h9-17H,4-8H2,1-3H3,(H,18,19)/p-1/t10-,11?,12?,13+,14-,15+/m0/s1.
What are the key properties of (4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate?
(4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate has a molecular weight of 351.36 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexyl) [(2R,3S,4S,5S)-4-hydroxy-5-methyl-2-(2-methylpropyl)oxolan-3-yl] phosphate is sourced from PubChem (CID 59148899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).