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

C7H14O5 — CID 174689422

IUPAC(3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol
SMILESCC1(C)OC(O)[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O5/c1-7(2)5(10)3(8)4(9)6(11)12-7/h3-6,8-11H,1-2H3/t3-,4+,5-,6?/m0/s1
InChIKeyJXMNUDDLKRSCSG-AMVSKUEXSA-N
MW178.18 g/mol
LogP-1.80
Rot. Bonds

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

(3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol (PubChem CID 174689422) has the molecular formula C7H14O5 and a molecular weight of 178.18 g/mol. Its IUPAC name is (3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol
PubChem CID174689422
Molecular FormulaC7H14O5
Molecular Weight178.18 g/mol
Exact Mass178.08
IUPAC Name(3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol
SMILESCC1(C)OC(O)[C@H](O)[C@H](O)[C@@H]1O
InChIInChI=1S/C7H14O5/c1-7(2)5(10)3(8)4(9)6(11)12-7/h3-6,8-11H,1-2H3/t3-,4+,5-,6?/m0/s1
InChIKeyJXMNUDDLKRSCSG-AMVSKUEXSA-N
XLogP-1.80
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 5-1.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(3S,4S,5R)-6,6-dimethyloxane-2,3,4,5-tetrol
CID 130978122
(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol
CID 163493374
CID 59964934
CID 59964934
(3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol
CID 102165181
[(3S,4R,5S,6R)-4,5,6-trihydroxy-2,2-dimethyloxan-3-yl] 2-methylpropanoate
CID 58925626
5-methoxy-6,6-dimethyloxan-2-ol
CID 77491775
(2S,3S,4S,5R,6R)-2-amino-3,4,5,6-tetrahydroxyoxane-2-carboxylic acid
CID 66669700
(4S,5S)-2,2-dimethyl-1,3-dioxolane-4,5-diol
CID 101384233
(3R,4R,5R,6S)-4,5,6-trihydroxy-3-methoxy-2,2-dimethyloxane-4-carboxamide
CID 70871295
(3R,4R,6S)-2,2,6-trimethyloxane-3,4-diol
CID 178008700
CID 169173770
CID 169173770
(1R,2R,3S,5R)-5-methoxy-4,4-dimethylcyclopentane-1,2,3-triol
CID 100924891

Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol?
The IUPAC name of (3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol (CID 174689422) is (3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol.
What is the SMILES notation for (3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol?
The canonical SMILES for (3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol is CC1(C)OC(O)[C@H](O)[C@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol?
The InChIKey is JXMNUDDLKRSCSG-AMVSKUEXSA-N. The full InChI is InChI=1S/C7H14O5/c1-7(2)5(10)3(8)4(9)6(11)12-7/h3-6,8-11H,1-2H3/t3-,4+,5-,6?/m0/s1.
What are the key properties of (3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol?
(3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol has a molecular weight of 178.18 g/mol, XLogP of -1.80, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-6,6-dimethyloxane-2,3,4,5-tetrol is sourced from PubChem (CID 174689422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).