(2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol

C10H20O6 — CID 57118345

IUPAC(2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol
SMILESCC(C)COC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H20O6/c1-6(2)3-15-5-10(14)9(13)8(12)7(11)4-16-10/h6-9,11-14H,3-5H2,1-2H3/t7-,8-,9+,10+/m1/s1
InChIKeyFCTUCAAYOFEITD-IMSYWVGJSA-N
MW236.26 g/mol
LogP-1.54
Rot. Bonds4

About (2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol

(2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol (PubChem CID 57118345) has the molecular formula C10H20O6 and a molecular weight of 236.26 g/mol. Its IUPAC name is (2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol
PubChem CID57118345
Molecular FormulaC10H20O6
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol
SMILESCC(C)COC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C10H20O6/c1-6(2)3-15-5-10(14)9(13)8(12)7(11)4-16-10/h6-9,11-14H,3-5H2,1-2H3/t7-,8-,9+,10+/m1/s1
InChIKeyFCTUCAAYOFEITD-IMSYWVGJSA-N
XLogP-1.54
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 5-1.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol (CID 57118345) is (2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol is CC(C)COC[C@]1(O)OC[C@@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol?
The InChIKey is FCTUCAAYOFEITD-IMSYWVGJSA-N. The full InChI is InChI=1S/C10H20O6/c1-6(2)3-15-5-10(14)9(13)8(12)7(11)4-16-10/h6-9,11-14H,3-5H2,1-2H3/t7-,8-,9+,10+/m1/s1.
What are the key properties of (2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol?
(2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol has a molecular weight of 236.26 g/mol, XLogP of -1.54, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R)-2-(2-methylpropoxymethyl)oxane-2,3,4,5-tetrol is sourced from PubChem (CID 57118345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).