(2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol

C14H26O8PS- — CID 165043855

IUPAC(2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol
SMILESCOC[C@H]1O[C@@H](C)[C@H](OP([O-])(=S)OCC2O[C@@H](C)C[C@@H]2OC)[C@@H]1O
InChIInChI=1S/C14H27O8PS/c1-8-5-10(18-4)11(20-8)7-19-23(16,24)22-14-9(2)21-12(6-17-3)13(14)15/h8-15H,5-7H2,1-4H3,(H,16,24)/p-1/t8-,9-,10-,11?,12+,13+,14-,23?/m0/s1
InChIKeyOOMQMCLNAKENNY-RTLBZZOQSA-M
MW385.40 g/mol
LogP-0.04
Rot. Bonds8

About (2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol

(2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol (PubChem CID 165043855) has the molecular formula C14H26O8PS- and a molecular weight of 385.40 g/mol. Its IUPAC name is (2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol
PubChem CID165043855
Molecular FormulaC14H26O8PS-
Molecular Weight385.40 g/mol
Exact Mass385.11
IUPAC Name(2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol
SMILESCOC[C@H]1O[C@@H](C)[C@H](OP([O-])(=S)OCC2O[C@@H](C)C[C@@H]2OC)[C@@H]1O
InChIInChI=1S/C14H27O8PS/c1-8-5-10(18-4)11(20-8)7-19-23(16,24)22-14-9(2)21-12(6-17-3)13(14)15/h8-15H,5-7H2,1-4H3,(H,16,24)/p-1/t8-,9-,10-,11?,12+,13+,14-,23?/m0/s1
InChIKeyOOMQMCLNAKENNY-RTLBZZOQSA-M
XLogP-0.04
TPSA98.67 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol with MolForge

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Related Compounds

2-[[[2-(hydroxymethyl)-5-methyloxolan-3-yl]oxy-oxidophosphinothioyl]oxymethyl]-5-methyloxolan-3-ol
CID 22894603
(3-methoxy-4,5-dimethyloxolan-2-yl)methoxy-[2-(methoxymethyl)-4,5-dimethyloxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane;3-[(3-methoxy-4,5-dimethyloxolan-2-yl)methoxy-methylphosphoryl]oxy-2-(methoxymethyl)-4,5-dimethyloxolane
CID 159327711
3-methoxy-2-[[[(2R,3R,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-methylphosphoryl]oxymethyl]-5-methyloxolane
CID 170523973
[[(3-methoxy-5-methyloxolan-2-yl)methoxy-oxidophosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
CID 59137937
CID 59911974
CID 59911974
[2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-methylphosphinic acid
CID 21029752
CID 158919548
CID 158919548
(2R,3S,5S)-3,5-dimethoxy-2-(methoxymethyl)oxolane
CID 15061031
hydroxy-methoxy-[(2R,4R,5S)-4-methoxy-2-(methoxymethyl)-5-methyloxolan-3-yl]oxy-sulfanylidene-λ5-phosphane
CID 88878251
(2R,3R,4S)-3-methoxy-2-(methoxymethyl)-6-methyloxan-4-ol
CID 174116775
(2R,3R,5S)-2-ethyl-3-methoxy-5-methyloxolane
CID 163422674
[(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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol?
The IUPAC name of (2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol (CID 165043855) is (2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol is COC[C@H]1O[C@@H](C)[C@H](OP([O-])(=S)OCC2O[C@@H](C)C[C@@H]2OC)[C@@H]1O.
What is the InChIKey of (2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol?
The InChIKey is OOMQMCLNAKENNY-RTLBZZOQSA-M. The full InChI is InChI=1S/C14H27O8PS/c1-8-5-10(18-4)11(20-8)7-19-23(16,24)22-14-9(2)21-12(6-17-3)13(14)15/h8-15H,5-7H2,1-4H3,(H,16,24)/p-1/t8-,9-,10-,11?,12+,13+,14-,23?/m0/s1.
What are the key properties of (2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol?
(2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol has a molecular weight of 385.40 g/mol, XLogP of -0.04, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5S)-2-(methoxymethyl)-4-[[(3S,5S)-3-methoxy-5-methyloxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-5-methyloxolan-3-ol is sourced from PubChem (CID 165043855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).