(2R,3S,4S,5S,6R)-2-butylsulfonyl-6-methyloxane-2,3,4,5-tetrol

C10H20O7S — CID 166072551

IUPAC(2R,3S,4S,5S,6R)-2-butylsulfonyl-6-methyloxane-2,3,4,5-tetrol
SMILESCCCCS(=O)(=O)[C@]1(O)O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H20O7S/c1-3-4-5-18(15,16)10(14)9(13)8(12)7(11)6(2)17-10/h6-9,11-14H,3-5H2,1-2H3/t6-,7-,8+,9+,10-/m1/s1
InChIKeyQRAKJULFNPOLEZ-FHNUBNKASA-N
MW284.33 g/mol
LogP-1.65
Rot. Bonds4

About (2R,3S,4S,5S,6R)-2-butylsulfonyl-6-methyloxane-2,3,4,5-tetrol

(2R,3S,4S,5S,6R)-2-butylsulfonyl-6-methyloxane-2,3,4,5-tetrol (PubChem CID 166072551) has the molecular formula C10H20O7S and a molecular weight of 284.33 g/mol. Its IUPAC name is (2R,3S,4S,5S,6R)-2-butylsulfonyl-6-methyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2R,3S,4S,5S,6R)-2-butylsulfonyl-6-methyloxane-2,3,4,5-tetrol
PubChem CID166072551
Molecular FormulaC10H20O7S
Molecular Weight284.33 g/mol
Exact Mass284.09
IUPAC Name(2R,3S,4S,5S,6R)-2-butylsulfonyl-6-methyloxane-2,3,4,5-tetrol
SMILESCCCCS(=O)(=O)[C@]1(O)O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C10H20O7S/c1-3-4-5-18(15,16)10(14)9(13)8(12)7(11)6(2)17-10/h6-9,11-14H,3-5H2,1-2H3/t6-,7-,8+,9+,10-/m1/s1
InChIKeyQRAKJULFNPOLEZ-FHNUBNKASA-N
XLogP-1.65
TPSA124.29 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5S,6R)-2-butylsulfonyl-6-methyloxane-2,3,4,5-tetrol?
The IUPAC name of (2R,3S,4S,5S,6R)-2-butylsulfonyl-6-methyloxane-2,3,4,5-tetrol (CID 166072551) is (2R,3S,4S,5S,6R)-2-butylsulfonyl-6-methyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (2R,3S,4S,5S,6R)-2-butylsulfonyl-6-methyloxane-2,3,4,5-tetrol?
The canonical SMILES for (2R,3S,4S,5S,6R)-2-butylsulfonyl-6-methyloxane-2,3,4,5-tetrol is CCCCS(=O)(=O)[C@]1(O)O[C@H](C)[C@@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5S,6R)-2-butylsulfonyl-6-methyloxane-2,3,4,5-tetrol?
The InChIKey is QRAKJULFNPOLEZ-FHNUBNKASA-N. The full InChI is InChI=1S/C10H20O7S/c1-3-4-5-18(15,16)10(14)9(13)8(12)7(11)6(2)17-10/h6-9,11-14H,3-5H2,1-2H3/t6-,7-,8+,9+,10-/m1/s1.
What are the key properties of (2R,3S,4S,5S,6R)-2-butylsulfonyl-6-methyloxane-2,3,4,5-tetrol?
(2R,3S,4S,5S,6R)-2-butylsulfonyl-6-methyloxane-2,3,4,5-tetrol has a molecular weight of 284.33 g/mol, XLogP of -1.65, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5S,6R)-2-butylsulfonyl-6-methyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 166072551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).