(2R,3R)-4-sulfanyloxybutane-1,2,3-triol

C4H10O4S — CID 88547398

IUPAC(2R,3R)-4-sulfanyloxybutane-1,2,3-triol
SMILESOC[C@@H](O)[C@H](O)COS
InChIInChI=1S/C4H10O4S/c5-1-3(6)4(7)2-8-9/h3-7,9H,1-2H2/t3-,4-/m1/s1
InChIKeyGBCHPIPOIMWAAI-QWWZWVQMSA-N
MW154.19 g/mol
LogP-1.44
Rot. Bonds4

About (2R,3R)-4-sulfanyloxybutane-1,2,3-triol

(2R,3R)-4-sulfanyloxybutane-1,2,3-triol (PubChem CID 88547398) has the molecular formula C4H10O4S and a molecular weight of 154.19 g/mol. Its IUPAC name is (2R,3R)-4-sulfanyloxybutane-1,2,3-triol.

Molecular Properties

Compound Name(2R,3R)-4-sulfanyloxybutane-1,2,3-triol
PubChem CID88547398
Molecular FormulaC4H10O4S
Molecular Weight154.19 g/mol
Exact Mass154.03
IUPAC Name(2R,3R)-4-sulfanyloxybutane-1,2,3-triol
SMILESOC[C@@H](O)[C@H](O)COS
InChIInChI=1S/C4H10O4S/c5-1-3(6)4(7)2-8-9/h3-7,9H,1-2H2/t3-,4-/m1/s1
InChIKeyGBCHPIPOIMWAAI-QWWZWVQMSA-N
XLogP-1.44
TPSA69.92 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 5-1.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

bis((2R,3R)-butane-1,2,3,4-tetrol);1-sulfanylethanol
CID 161456248
(2R,3R)-4-sulfanylbutane-1,2,3-triol
CID 20617781
[(2R,3S)-2,3,4-trihydroxybutyl] nitrate
CID 142732843
butane-1,2,3,4-tetrol;phosphorous acid
CID 139511321
(2S,3R)-butane-1,2,3,4-tetrol;propane-1,2,3-triol
CID 87640100
(2R,3S)-4-(3,5-dihydroxypentoxy)butane-1,2,3-triol
CID 175479329
(2R,3S,4S)-4-deuteriopentane-1,2,3,5-tetrol
CID 54540788
hexane-1,2,3,6-tetrol
CID 5209802
butane;butane-1,2,3,4-tetrol
CID 155273073
[(2R,3R)-2,3,4-trihydroxybutyl] prop-2-enoate
CID 87646128
(2R,4S,5R)-2-aminooxy-4,5,6-trihydroxyhexanal
CID 88657763
(2S,4S)-pentane-1,2,3,4,5-pentol
CID 139064085

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-4-sulfanyloxybutane-1,2,3-triol?
The IUPAC name of (2R,3R)-4-sulfanyloxybutane-1,2,3-triol (CID 88547398) is (2R,3R)-4-sulfanyloxybutane-1,2,3-triol.
What is the SMILES notation for (2R,3R)-4-sulfanyloxybutane-1,2,3-triol?
The canonical SMILES for (2R,3R)-4-sulfanyloxybutane-1,2,3-triol is OC[C@@H](O)[C@H](O)COS.
What is the InChIKey of (2R,3R)-4-sulfanyloxybutane-1,2,3-triol?
The InChIKey is GBCHPIPOIMWAAI-QWWZWVQMSA-N. The full InChI is InChI=1S/C4H10O4S/c5-1-3(6)4(7)2-8-9/h3-7,9H,1-2H2/t3-,4-/m1/s1.
What are the key properties of (2R,3R)-4-sulfanyloxybutane-1,2,3-triol?
(2R,3R)-4-sulfanyloxybutane-1,2,3-triol has a molecular weight of 154.19 g/mol, XLogP of -1.44, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-4-sulfanyloxybutane-1,2,3-triol is sourced from PubChem (CID 88547398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).