[(2R,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane

C19H36O7PS- — CID 59991670

IUPAC[(2R,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane
SMILESCC(C)OC[C@@]1(C)O[C@@H](C)C[C@H]1OP([O-])(=S)OC[C@H]1O[C@@H](C)CC1OC(C)C
InChIInChI=1S/C19H37O7PS/c1-12(2)21-11-19(7)18(9-15(6)25-19)26-27(20,28)22-10-17-16(23-13(3)4)8-14(5)24-17/h12-18H,8-11H2,1-7H3,(H,20,28)/p-1/t14-,15-,16?,17+,18+,19+,27?/m0/s1
InChIKeyCALBLPNJQBDKRI-RHRJJKTESA-M
MW439.53 g/mol
LogP2.94
Rot. Bonds10

About [(2R,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane

[(2R,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane (PubChem CID 59991670) has the molecular formula C19H36O7PS- and a molecular weight of 439.53 g/mol. Its IUPAC name is [(2R,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name[(2R,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane
PubChem CID59991670
Molecular FormulaC19H36O7PS-
Molecular Weight439.53 g/mol
Exact Mass439.19
IUPAC Name[(2R,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane
SMILESCC(C)OC[C@@]1(C)O[C@@H](C)C[C@H]1OP([O-])(=S)OC[C@H]1O[C@@H](C)CC1OC(C)C
InChIInChI=1S/C19H37O7PS/c1-12(2)21-11-19(7)18(9-15(6)25-19)26-27(20,28)22-10-17-16(23-13(3)4)8-14(5)24-17/h12-18H,8-11H2,1-7H3,(H,20,28)/p-1/t14-,15-,16?,17+,18+,19+,27?/m0/s1
InChIKeyCALBLPNJQBDKRI-RHRJJKTESA-M
XLogP2.94
TPSA78.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.53
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane?
The IUPAC name of [(2R,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane (CID 59991670) is [(2R,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane.
What is the SMILES notation for [(2R,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane?
The canonical SMILES for [(2R,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane is CC(C)OC[C@@]1(C)O[C@@H](C)C[C@H]1OP([O-])(=S)OC[C@H]1O[C@@H](C)CC1OC(C)C.
What is the InChIKey of [(2R,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane?
The InChIKey is CALBLPNJQBDKRI-RHRJJKTESA-M. The full InChI is InChI=1S/C19H37O7PS/c1-12(2)21-11-19(7)18(9-15(6)25-19)26-27(20,28)22-10-17-16(23-13(3)4)8-14(5)24-17/h12-18H,8-11H2,1-7H3,(H,20,28)/p-1/t14-,15-,16?,17+,18+,19+,27?/m0/s1.
What are the key properties of [(2R,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane?
[(2R,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane has a molecular weight of 439.53 g/mol, XLogP of 2.94, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3R,5S)-2,5-dimethyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-[[(2R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methoxy]-oxido-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 59991670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).