(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol

C8H16O5 — CID 163493374

IUPAC(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol
SMILESCC1(C)OC(CO)[C@@H](O)C(O)C1O
InChIInChI=1S/C8H16O5/c1-8(2)7(12)6(11)5(10)4(3-9)13-8/h4-7,9-12H,3H2,1-2H3/t4?,5-,6?,7?/m1/s1
InChIKeyCONCSVMJCXGXBQ-BWZSGCSDSA-N
MW192.21 g/mol
LogP-1.76
Rot. Bonds1

About (5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol

(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol (PubChem CID 163493374) has the molecular formula C8H16O5 and a molecular weight of 192.21 g/mol. Its IUPAC name is (5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol.

Molecular Properties

Compound Name(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol
PubChem CID163493374
Molecular FormulaC8H16O5
Molecular Weight192.21 g/mol
Exact Mass192.10
IUPAC Name(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol
SMILESCC1(C)OC(CO)[C@@H](O)C(O)C1O
InChIInChI=1S/C8H16O5/c1-8(2)7(12)6(11)5(10)4(3-9)13-8/h4-7,9-12H,3H2,1-2H3/t4?,5-,6?,7?/m1/s1
InChIKeyCONCSVMJCXGXBQ-BWZSGCSDSA-N
XLogP-1.76
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 5-1.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol with MolForge

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Related Compounds

(3S,4R,5S,6S)-5-amino-6-(hydroxymethyl)-2,2-dimethyloxane-3,4-diol
CID 102165181
(2S,4S,5S)-6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol
CID 118591755
6-(hydroxymethyl)-2-methyloxane-2,3,4,5-tetrol;methane
CID 162165595
4-amino-2-(hydroxymethyl)-5,5-dimethyloxolan-3-ol
CID 137455676
(3R,4S,5S,6R)-2,2-diamino-6-(hydroxymethyl)oxane-3,4,5-triol
CID 171922004
(2S,4R,5R)-5-(hydroxymethyl)-2-methyloxolane-2,3,4-triol
CID 57267196
5-amino-2-(hydroxymethyl)-4-methoxy-6,6-dimethyloxan-3-ol
CID 59937976
(2S,3R,4S,5S,6R)-2-bromo-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 141299257
(4R,5S)-2,6-bis(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 46782101
(2R,3S,4S,5S,6R)-2-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 70179573
(3R,4S,5R)-2-amino-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 57244459
(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2-phosphanyloxane-2,3,4,5-tetrol
CID 141114206

Frequently Asked Questions

What is the IUPAC name of (5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol?
The IUPAC name of (5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol (CID 163493374) is (5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol.
What is the SMILES notation for (5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol?
The canonical SMILES for (5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol is CC1(C)OC(CO)[C@@H](O)C(O)C1O.
What is the InChIKey of (5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol?
The InChIKey is CONCSVMJCXGXBQ-BWZSGCSDSA-N. The full InChI is InChI=1S/C8H16O5/c1-8(2)7(12)6(11)5(10)4(3-9)13-8/h4-7,9-12H,3H2,1-2H3/t4?,5-,6?,7?/m1/s1.
What are the key properties of (5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol?
(5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol has a molecular weight of 192.21 g/mol, XLogP of -1.76, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-6-(hydroxymethyl)-2,2-dimethyloxane-3,4,5-triol is sourced from PubChem (CID 163493374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).