(2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane

C7H11Cl3O11S3 — CID 23261854

IUPAC(2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane
SMILESCO[C@@H]1O[C@@H](C)[C@@H](OS(=O)(=O)Cl)[C@@H](OS(=O)(=O)Cl)[C@@H]1OS(=O)(=O)Cl
InChIInChI=1S/C7H11Cl3O11S3/c1-3-4(19-22(8,11)12)5(20-23(9,13)14)6(7(17-2)18-3)21-24(10,15)16/h3-7H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
InChIKeyKTBFQVWYOAYONB-CXNFULCWSA-N
MW473.71 g/mol
LogP-0.02
Rot. Bonds7

About (2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane

(2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane (PubChem CID 23261854) has the molecular formula C7H11Cl3O11S3 and a molecular weight of 473.71 g/mol. Its IUPAC name is (2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane.

Molecular Properties

Compound Name(2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane
PubChem CID23261854
Molecular FormulaC7H11Cl3O11S3
Molecular Weight473.71 g/mol
Exact Mass471.85
IUPAC Name(2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane
SMILESCO[C@@H]1O[C@@H](C)[C@@H](OS(=O)(=O)Cl)[C@@H](OS(=O)(=O)Cl)[C@@H]1OS(=O)(=O)Cl
InChIInChI=1S/C7H11Cl3O11S3/c1-3-4(19-22(8,11)12)5(20-23(9,13)14)6(7(17-2)18-3)21-24(10,15)16/h3-7H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
InChIKeyKTBFQVWYOAYONB-CXNFULCWSA-N
XLogP-0.02
TPSA148.57 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.71
LogP ≤ 5-0.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze (2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane with MolForge

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Related Compounds

[(2S,3S,4R,5R,6R)-6-methoxy-2-methyl-4,5-disulfooxyoxan-3-yl] 2-[4-(trifluoromethyl)phenyl]acetate
CID 11432772
sodium [(2S,3S,4R,5R,6R)-6-methoxy-2-methyl-4,5-disulfooxyoxan-3-yl] 2-[4-(trifluoromethyl)phenyl]acetate
CID 11432771
[(2R,3R,4S,5S,6S)-4,5,6-trimethoxy-2-methyloxan-3-yl] acetate
CID 22214876
[(2R,3S,4S,5R,6R)-2-[(2S,3S,4S,5R,6R)-2-methoxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,5-disulfonatooxy-6-(sulfonatooxymethyl)oxan-4-yl] sulfate
CID 91930139
[(2S,3S,4aR,5R,7S,8S,8aS)-2,3,7-trimethoxy-2,3,5-trimethyl-5,7,8,8a-tetrahydro-4aH-pyrano[3,4-b][1,4]dioxin-8-yl] trifluoromethanesulfonate
CID 101086702
[4-amino-2-methoxy-5-(sulfanylmethyl)oxolan-3-yl] methanesulfonate;hydrochloride
CID 54599532
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-methyloxan-3-ol
CID 13122553
[(3R,4R,5S,6S)-6-methoxy-4,5-bis(methylsulfonyloxy)oxan-3-yl] methanesulfonate
CID 98524476
[(3R,4R,5S,6R)-6-methoxy-4,5-bis(methylsulfonyloxy)oxan-3-yl] methanesulfonate
CID 98524477
[(2R,3S,4S,5R,6S)-5-acetyloxy-2-methoxy-3,6-dimethyloxan-4-yl] acetate
CID 158380214
[(2S,3R,4S,5R)-4-hydroxy-2-[(3S,4S,5S)-5-hydroxy-6-methoxy-2-methyl-4-sulfonatooxyoxan-3-yl]oxy-5-methyloxan-3-yl] sulfate
CID 59736167
(3S)-3,4,5-trimethoxy-2,6-dimethyloxane
CID 129044476

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane?
The IUPAC name of (2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane (CID 23261854) is (2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane.
What is the SMILES notation for (2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane?
The canonical SMILES for (2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane is CO[C@@H]1O[C@@H](C)[C@@H](OS(=O)(=O)Cl)[C@@H](OS(=O)(=O)Cl)[C@@H]1OS(=O)(=O)Cl.
What is the InChIKey of (2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane?
The InChIKey is KTBFQVWYOAYONB-CXNFULCWSA-N. The full InChI is InChI=1S/C7H11Cl3O11S3/c1-3-4(19-22(8,11)12)5(20-23(9,13)14)6(7(17-2)18-3)21-24(10,15)16/h3-7H,1-2H3/t3-,4+,5+,6-,7+/m0/s1.
What are the key properties of (2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane?
(2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane has a molecular weight of 473.71 g/mol, XLogP of -0.02, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,5R,6S)-3,4,5-tris(chlorosulfonyloxy)-2-methoxy-6-methyloxane is sourced from PubChem (CID 23261854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).