(2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol

C9H19O6PS — CID 58584292

IUPAC(2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol
SMILESCC(C)OC[C@H]1O[C@@H](C)[C@@H](O)C1OP(O)(O)=S
InChIInChI=1S/C9H19O6PS/c1-5(2)13-4-7-9(15-16(11,12)17)8(10)6(3)14-7/h5-10H,4H2,1-3H3,(H2,11,12,17)/t6-,7+,8+,9?/m0/s1
InChIKeyAGHJBCFNTDUSDU-VCWZQCKKSA-N
MW286.29 g/mol
LogP0.15
Rot. Bonds5

About (2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol

(2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol (PubChem CID 58584292) has the molecular formula C9H19O6PS and a molecular weight of 286.29 g/mol. Its IUPAC name is (2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol
PubChem CID58584292
Molecular FormulaC9H19O6PS
Molecular Weight286.29 g/mol
Exact Mass286.06
IUPAC Name(2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol
SMILESCC(C)OC[C@H]1O[C@@H](C)[C@@H](O)C1OP(O)(O)=S
InChIInChI=1S/C9H19O6PS/c1-5(2)13-4-7-9(15-16(11,12)17)8(10)6(3)14-7/h5-10H,4H2,1-3H3,(H2,11,12,17)/t6-,7+,8+,9?/m0/s1
InChIKeyAGHJBCFNTDUSDU-VCWZQCKKSA-N
XLogP0.15
TPSA88.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(2R,3R,5S)-4-hydroxy-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate
CID 59914417
[[(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
CID 166559453
CID 166559453
[(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
CID 140704944
CID 140704944
CID 166559436
CID 166559436
methyl-[(2R,5S)-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl]oxy-oxido-sulfanylidene-λ5-phosphane
CID 58584297
(2S,3S,4S,5S)-2,4-dimethyl-5-(1-sulfanylethoxymethyl)oxolan-3-ol
CID 166956634
[(2R,3R,5S)-4-amino-5-methyl-2-(propan-2-yloxymethyl)oxolan-3-yl] [(2R,3R,5S)-5-methyl-3-propan-2-yloxyoxolan-2-yl]methyl hydrogen phosphate
CID 59914593
[(2R,3S,4S,5S)-2-(dihydroxyphosphinothioyloxymethyl)-4,5-dimethyloxolan-3-yl] [(2R,3S,4R,5S)-3-hydroxy-4,5-dimethyloxolan-2-yl]methyl hydrogen phosphate
CID 59408121

Frequently Asked Questions

What is the IUPAC name of (2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol?
The IUPAC name of (2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol (CID 58584292) is (2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol.
What is the SMILES notation for (2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol?
The canonical SMILES for (2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol is CC(C)OC[C@H]1O[C@@H](C)[C@@H](O)C1OP(O)(O)=S.
What is the InChIKey of (2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol?
The InChIKey is AGHJBCFNTDUSDU-VCWZQCKKSA-N. The full InChI is InChI=1S/C9H19O6PS/c1-5(2)13-4-7-9(15-16(11,12)17)8(10)6(3)14-7/h5-10H,4H2,1-3H3,(H2,11,12,17)/t6-,7+,8+,9?/m0/s1.
What are the key properties of (2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol?
(2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol has a molecular weight of 286.29 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,5R)-4-dihydroxyphosphinothioyloxy-2-methyl-5-(propan-2-yloxymethyl)oxolan-3-ol is sourced from PubChem (CID 58584292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).