(3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol

C8H16O6 — CID 70388972

IUPAC(3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol
SMILESCC(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C8H16O6/c1-3(9)6-8(2,13)5(11)4(10)7(12)14-6/h3-7,9-13H,1-2H3/t3?,4-,5-,6-,7?,8+/m1/s1
InChIKeyDLGOFWIVMBHFPR-AJARVQNBSA-N
MW208.21 g/mol
LogP-2.44
Rot. Bonds1

About (3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol

(3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol (PubChem CID 70388972) has the molecular formula C8H16O6 and a molecular weight of 208.21 g/mol. Its IUPAC name is (3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol
PubChem CID70388972
Molecular FormulaC8H16O6
Molecular Weight208.21 g/mol
Exact Mass208.09
IUPAC Name(3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol
SMILESCC(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@]1(C)O
InChIInChI=1S/C8H16O6/c1-3(9)6-8(2,13)5(11)4(10)7(12)14-6/h3-7,9-13H,1-2H3/t3?,4-,5-,6-,7?,8+/m1/s1
InChIKeyDLGOFWIVMBHFPR-AJARVQNBSA-N
XLogP-2.44
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 5-2.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 10920486
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(2S,3R,4R,5S,6R)-6-(1-hydroxyethyl)-2,4,5-trimethyloxane-2,3,4,5-tetrol
CID 68989098
actinium;(2R,4R,5S)-5-[(1S)-1-hydroxyethyl]oxolane-2,3,4-triol
CID 58666535
(2S,3S,4R,5S,6S)-2-methoxy-3,6-dimethyloxane-3,4,5-triol
CID 131133904
(3S,5S)-3-hydroxy-5-(1-hydroxyethyl)-4,4-dimethyloxolan-2-one
CID 102455178
(1R,3R,4R,5R,6S)-7-methyl-2-oxabicyclo[4.2.0]octane-3,4,5,6,8-pentol
CID 54463336
(2S,3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
CID 59796320
(1R,2S,3R,4S,5R)-2-methyl-5-propan-2-ylcyclohexane-1,2,3,4-tetrol
CID 25187162
(3R,4R,5R)-5-(hydroxymethyl)-2,3-dimethyloxolane-3,4-diol
CID 58959143
(2R,3S,4S)-2-[(1R)-1-hydroxyethyl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 138667541
(5R)-2-amino-5-[(1S)-1-hydroxyethyl]-2-methyloxolane-3,4-diol
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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol (CID 70388972) is (3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol is CC(O)[C@H]1OC(O)[C@H](O)[C@@H](O)[C@]1(C)O.
What is the InChIKey of (3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol?
The InChIKey is DLGOFWIVMBHFPR-AJARVQNBSA-N. The full InChI is InChI=1S/C8H16O6/c1-3(9)6-8(2,13)5(11)4(10)7(12)14-6/h3-7,9-13H,1-2H3/t3?,4-,5-,6-,7?,8+/m1/s1.
What are the key properties of (3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol?
(3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol has a molecular weight of 208.21 g/mol, XLogP of -2.44, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S,6R)-6-(1-hydroxyethyl)-5-methyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 70388972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).