[(2R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate

C19H34O10P- — CID 59905710

IUPAC[(2R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
SMILESCC(C)OC[C@@]1(CO)O[C@@H](C)CC1OP(=O)([O-])OC(=O)[C@H]1O[C@@H](C)CC1OC(C)C
InChIInChI=1S/C19H35O10P/c1-11(2)24-10-19(9-20)16(8-14(6)27-19)28-30(22,23)29-18(21)17-15(25-12(3)4)7-13(5)26-17/h11-17,20H,7-10H2,1-6H3,(H,22,23)/p-1/t13-,14-,15?,16?,17-,19+/m0/s1
InChIKeyXTZDHJTXSVEBAF-GZRPWFRISA-M
MW453.45 g/mol
LogP1.32
Rot. Bonds10

About [(2R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate

[(2R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate (PubChem CID 59905710) has the molecular formula C19H34O10P- and a molecular weight of 453.45 g/mol. Its IUPAC name is [(2R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate.

Molecular Properties

Compound Name[(2R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
PubChem CID59905710
Molecular FormulaC19H34O10P-
Molecular Weight453.45 g/mol
Exact Mass453.19
IUPAC Name[(2R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate
SMILESCC(C)OC[C@@]1(CO)O[C@@H](C)CC1OP(=O)([O-])OC(=O)[C@H]1O[C@@H](C)CC1OC(C)C
InChIInChI=1S/C19H35O10P/c1-11(2)24-10-19(9-20)16(8-14(6)27-19)28-30(22,23)29-18(21)17-15(25-12(3)4)7-13(5)26-17/h11-17,20H,7-10H2,1-6H3,(H,22,23)/p-1/t13-,14-,15?,16?,17-,19+/m0/s1
InChIKeyXTZDHJTXSVEBAF-GZRPWFRISA-M
XLogP1.32
TPSA132.81 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?
The IUPAC name of [(2R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate (CID 59905710) is [(2R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate.
What is the SMILES notation for [(2R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?
The canonical SMILES for [(2R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate is CC(C)OC[C@@]1(CO)O[C@@H](C)CC1OP(=O)([O-])OC(=O)[C@H]1O[C@@H](C)CC1OC(C)C.
What is the InChIKey of [(2R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?
The InChIKey is XTZDHJTXSVEBAF-GZRPWFRISA-M. The full InChI is InChI=1S/C19H35O10P/c1-11(2)24-10-19(9-20)16(8-14(6)27-19)28-30(22,23)29-18(21)17-15(25-12(3)4)7-13(5)26-17/h11-17,20H,7-10H2,1-6H3,(H,22,23)/p-1/t13-,14-,15?,16?,17-,19+/m0/s1.
What are the key properties of [(2R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate?
[(2R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate has a molecular weight of 453.45 g/mol, XLogP of 1.32, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-2-(hydroxymethyl)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2S,5S)-5-methyl-3-propan-2-yloxyoxolane-2-carbonyl] phosphate is sourced from PubChem (CID 59905710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).