(3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol

C9H18O6 — CID 172695707

IUPAC(3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol
SMILESCC[C@@H](CO)[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18O6/c1-2-4(3-10)8-6(12)5(11)7(13)9(14)15-8/h4-14H,2-3H2,1H3/t4-,5-,6-,7-,8+,9?/m0/s1
InChIKeyCHFMFMRXROWAHE-OPDSWNMTSA-N
MW222.24 g/mol
LogP-2.20
Rot. Bonds3

About (3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol

(3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol (PubChem CID 172695707) has the molecular formula C9H18O6 and a molecular weight of 222.24 g/mol. Its IUPAC name is (3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol
PubChem CID172695707
Molecular FormulaC9H18O6
Molecular Weight222.24 g/mol
Exact Mass222.11
IUPAC Name(3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol
SMILESCC[C@@H](CO)[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C9H18O6/c1-2-4(3-10)8-6(12)5(11)7(13)9(14)15-8/h4-14H,2-3H2,1H3/t4-,5-,6-,7-,8+,9?/m0/s1
InChIKeyCHFMFMRXROWAHE-OPDSWNMTSA-N
XLogP-2.20
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 5-2.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol with MolForge

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Related Compounds

(2R,4S,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 132935719
(2R)-5-[(1S)-1-hydroxypropyl]oxolane-2,3,4-triol
CID 138717575
(4R,5S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 172641949
(2R,3S,4S,5S,6R)-6-(1,2-dihydroxyethyl)oxane-2,3,4,5-tetrol
CID 69188119
(2S,3S,4S,5S,6R)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 21120523
(2R,3S,4S,5S,6S)-6-[(1R)-1,2-dihydroxyethyl]oxane-2,3,4,5-tetrol
CID 25323127
(2S,3S,4S,5S,6R)-6-(1,2,3-trihydroxypropyl)oxane-2,3,4,5-tetrol
CID 70476129
(3S,4S,5S)-5-[(1R)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 15560232
(2R,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 137349473
(2S,3S,4S,5S)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 67949243
(2R,5R)-5-[(1S)-1,2-dihydroxyethyl]oxolane-2,3,4-triol
CID 129307306
(3R,4R,5R)-5-(1,2-dihydroxyethyl)oxolane-2,3,4-triol
CID 15560221

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol?
The IUPAC name of (3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol (CID 172695707) is (3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for (3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol?
The canonical SMILES for (3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol is CC[C@@H](CO)[C@H]1OC(O)[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol?
The InChIKey is CHFMFMRXROWAHE-OPDSWNMTSA-N. The full InChI is InChI=1S/C9H18O6/c1-2-4(3-10)8-6(12)5(11)7(13)9(14)15-8/h4-14H,2-3H2,1H3/t4-,5-,6-,7-,8+,9?/m0/s1.
What are the key properties of (3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol?
(3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol has a molecular weight of 222.24 g/mol, XLogP of -2.20, 3 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5S,6R)-6-[(2S)-1-hydroxybutan-2-yl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 172695707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).