[(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite

C6H12O8S — CID 174083205

IUPAC[(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite
SMILESO=S(O)OCC1OC(O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O8S/c7-3-2(1-13-15(11)12)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12)/t2?,3-,4+,5?,6?/m0/s1
InChIKeyIRPZNIDNSRKFKA-ZVGIEJTISA-N
MW244.22 g/mol
LogP-3.06
Rot. Bonds3

About [(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite

[(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite (PubChem CID 174083205) has the molecular formula C6H12O8S and a molecular weight of 244.22 g/mol. Its IUPAC name is [(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite.

Molecular Properties

Compound Name[(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite
PubChem CID174083205
Molecular FormulaC6H12O8S
Molecular Weight244.22 g/mol
Exact Mass244.03
IUPAC Name[(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite
SMILESO=S(O)OCC1OC(O)C(O)[C@H](O)[C@H]1O
InChIInChI=1S/C6H12O8S/c7-3-2(1-13-15(11)12)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12)/t2?,3-,4+,5?,6?/m0/s1
InChIKeyIRPZNIDNSRKFKA-ZVGIEJTISA-N
XLogP-3.06
TPSA136.68 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 5-3.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S,4S,5S,6R)-6-(aminooxymethyl)oxane-2,3,4,5-tetrol
CID 156617029
(2S,3S,4S,5S,6R)-6-(methoxymethyl)oxane-2,3,4,5-tetrol
CID 26176683
[(2R,3S,4R,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfate
CID 71434014
CID 131865245
CID 131865245
disodium;[(2S,3R,4R,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 171380674
disodium;[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 45052218
[(2R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 51351673
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl sulfamate
CID 53322463
[(2R,3S,4S,5R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl phosphate
CID 23421199
(3S,4R,5S,6S)-6-(chloromethyl)oxane-2,3,4,5-tetrol
CID 12790194
[(2R,3S,4S,5S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxyphosphonamidic acid
CID 167491505
methyl-[[(3S,4S,6S)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy]phosphinic acid
CID 89181885

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite?
The IUPAC name of [(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite (CID 174083205) is [(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite.
What is the SMILES notation for [(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite?
The canonical SMILES for [(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite is O=S(O)OCC1OC(O)C(O)[C@H](O)[C@H]1O.
What is the InChIKey of [(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite?
The InChIKey is IRPZNIDNSRKFKA-ZVGIEJTISA-N. The full InChI is InChI=1S/C6H12O8S/c7-3-2(1-13-15(11)12)14-6(10)5(9)4(3)8/h2-10H,1H2,(H,11,12)/t2?,3-,4+,5?,6?/m0/s1.
What are the key properties of [(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite?
[(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite has a molecular weight of 244.22 g/mol, XLogP of -3.06, 3 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl hydrogen sulfite is sourced from PubChem (CID 174083205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).