(3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol

C10H20O6 — CID 68985984

IUPAC(3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol
SMILESCC1(O)O[C@H](CO)[C@@](C)(O)[C@](C)(O)[C@]1(C)O
InChIInChI=1S/C10H20O6/c1-7(12)6(5-11)16-10(4,15)9(3,14)8(7,2)13/h6,11-15H,5H2,1-4H3/t6-,7-,8+,9+,10?/m1/s1
InChIKeyNTVWXLJLYSBOSP-NTUKYRGVSA-N
MW236.26 g/mol
LogP-1.66
Rot. Bonds1

About (3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol

(3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol (PubChem CID 68985984) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol
PubChem CID68985984
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol
SMILESCC1(O)O[C@H](CO)[C@@](C)(O)[C@](C)(O)[C@]1(C)O
InChIInChI=1S/C10H20O6/c1-7(12)6(5-11)16-10(4,15)9(3,14)8(7,2)13/h6,11-15H,5H2,1-4H3/t6-,7-,8+,9+,10?/m1/s1
InChIKeyNTVWXLJLYSBOSP-NTUKYRGVSA-N
XLogP-1.66
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol with MolForge

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Related Compounds

Yersiniose
CID 129011831
alpha-L-3-O-Methylmycarose pyranose
CID 12303303
(2R,3R,5S,6R)-2-(hydroxymethyl)-3,5,6-trimethyloxan-2-ol
CID 44370390
12-deoxy-4-C-(D-altro-5,7,8,9-tetrahydroxyhexyl))-3-O-methyl-D-galactopyranose
CID 139591154
2-Butoxy-4,6-dimethyloxane-3,4,5-triol
CID 162936951
(2R,3R,4S,5S,6R)-2-[(3R)-3-ethyl-4-hydroxy-4-methylpentoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 163039823
Nogalose
CID 161660
(4R,5S,6S)-4-Methoxy-4,6-dimethyltetrahydro-2H-pyran-2,5-diol
CID 443504
Mycarose beta-L-pyranose
CID 10154192
Methylcladinoside
CID 70005079
Caryophyllan
CID 139583797
4,6-Dimethoxy-2,4-dimethyloxan-3-ol
CID 14337465

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol?
The IUPAC name of (3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol (CID 68985984) is (3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol?
The canonical SMILES for (3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol is CC1(O)O[C@H](CO)[C@@](C)(O)[C@](C)(O)[C@]1(C)O.
What is the InChIKey of (3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol?
The InChIKey is NTVWXLJLYSBOSP-NTUKYRGVSA-N. The full InChI is InChI=1S/C10H20O6/c1-7(12)6(5-11)16-10(4,15)9(3,14)8(7,2)13/h6,11-15H,5H2,1-4H3/t6-,7-,8+,9+,10?/m1/s1.
What are the key properties of (3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol?
(3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol has a molecular weight of 236.26 g/mol, XLogP of -1.66, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R,6R)-6-(hydroxymethyl)-2,3,4,5-tetramethyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 68985984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).