(2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol

C10H21AsO6 — CID 101030488

IUPAC(2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol
SMILESC[As](C)(=O)C[C@H]1O[C@@H](CC(O)CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H21AsO6/c1-11(2,16)4-8-10(15)9(14)7(17-8)3-6(13)5-12/h6-10,12-15H,3-5H2,1-2H3/t6?,7-,8+,9-,10+/m0/s1
InChIKeyXSJYSWMWYGZKDH-QCHRWEISSA-N
MW312.19 g/mol
LogP-1.15
Rot. Bonds5

About (2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol

(2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol (PubChem CID 101030488) has the molecular formula C10H21AsO6 and a molecular weight of 312.19 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol
PubChem CID101030488
Molecular FormulaC10H21AsO6
Molecular Weight312.19 g/mol
Exact Mass312.06
IUPAC Name(2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol
SMILESC[As](C)(=O)C[C@H]1O[C@@H](CC(O)CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H21AsO6/c1-11(2,16)4-8-10(15)9(14)7(17-8)3-6(13)5-12/h6-10,12-15H,3-5H2,1-2H3/t6?,7-,8+,9-,10+/m0/s1
InChIKeyXSJYSWMWYGZKDH-QCHRWEISSA-N
XLogP-1.15
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 5-1.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(2R)-2,3-dihydroxypropyl] [(2S)-3-[(2R,3R,4S,5S)-5-(dimethylarsorylmethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropyl] hydrogen phosphate
CID 163033312
[(2S)-2,3-dihydroxypropyl] [(2R)-3-[(2R,3R,4S,5S)-5-(dimethylarsorylmethyl)-3,4-dihydroxyoxolan-2-yl]oxy-2-hydroxypropyl] phosphate
CID 101270923
CID 101475299
CID 101475299
(2R,3R,4S,5S)-2-(2,3-dihydroxypropoxy)-5-(dimethylarsinothioylmethyl)oxolane-3,4-diol
CID 101356821
(2R)-3-[[(3aR,4R,6S,6aS)-6-(dimethylarsorylmethyl)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]oxy]propane-1,2-diol
CID 101120490
(2R,3S,4R,5R,6S)-2-(hydroxymethyl)-6-(2-hydroxypropyl)oxane-3,4,5-triol
CID 25109604
3,4-dihydroxy-2-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methyl]butanoic acid
CID 101030818
3-[(2R,3R,4S,5S)-5-(dimethylarsorylmethyl)-2,3,4-trihydroxyoxolan-2-yl]-2-hydroxypropane-1-sulfonic acid
CID 101140864
(2R,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-(2-hydroxypropyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 25109610
(2S,3R,4S,5S,6R)-2-[(2S)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 10083634
(2R,3S,4R,5R,6S)-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 11959966
(2S,3R,4S,5R,6R)-2-[(2R)-2,3-dihydroxypropoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91850365

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol?
The IUPAC name of (2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol (CID 101030488) is (2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol.
What is the SMILES notation for (2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol?
The canonical SMILES for (2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol is C[As](C)(=O)C[C@H]1O[C@@H](CC(O)CO)[C@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol?
The InChIKey is XSJYSWMWYGZKDH-QCHRWEISSA-N. The full InChI is InChI=1S/C10H21AsO6/c1-11(2,16)4-8-10(15)9(14)7(17-8)3-6(13)5-12/h6-10,12-15H,3-5H2,1-2H3/t6?,7-,8+,9-,10+/m0/s1.
What are the key properties of (2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol?
(2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol has a molecular weight of 312.19 g/mol, XLogP of -1.15, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2-(2,3-dihydroxypropyl)-5-(dimethylarsorylmethyl)oxolane-3,4-diol is sourced from PubChem (CID 101030488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).