(2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol

C12H22O8 — CID 142436964

IUPAC(2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol
SMILESOCC1CC(O[C@H]2OC(CO)[C@@H](O)CC2O)C(O)CO1
InChIInChI=1S/C12H22O8/c13-3-6-1-10(9(17)5-18-6)19-12-8(16)2-7(15)11(4-14)20-12/h6-17H,1-5H2/t6?,7-,8?,9?,10?,11?,12-/m0/s1
InChIKeyKZVYTJXPGMOOIF-HBWQVVMDSA-N
MW294.30 g/mol
LogP-2.66
Rot. Bonds4

About (2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol

(2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol (PubChem CID 142436964) has the molecular formula C12H22O8 and a molecular weight of 294.30 g/mol. Its IUPAC name is (2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol.

Molecular Properties

Compound Name(2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol
PubChem CID142436964
Molecular FormulaC12H22O8
Molecular Weight294.30 g/mol
Exact Mass294.13
IUPAC Name(2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol
SMILESOCC1CC(O[C@H]2OC(CO)[C@@H](O)CC2O)C(O)CO1
InChIInChI=1S/C12H22O8/c13-3-6-1-10(9(17)5-18-6)19-12-8(16)2-7(15)11(4-14)20-12/h6-17H,1-5H2/t6?,7-,8?,9?,10?,11?,12-/m0/s1
InChIKeyKZVYTJXPGMOOIF-HBWQVVMDSA-N
XLogP-2.66
TPSA128.84 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 5-2.66
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

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Related Compounds

2-ethoxy-6-(hydroxymethyl)oxane-3,5-diol
CID 18974249
(2R,3R,5R,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 67701993
(3S,5R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 154684690
(2R,3S,5S,6R)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 27556866
(3R,6S)-6-(hydroxymethyl)oxane-2,3,5-triol
CID 155780384
2-[2,3-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxyoxane-3,4,5-triol
CID 118049141
(4S,6S)-6-(hydroxymethyl)oxane-3,4-diol
CID 89129444
(2R,3S,4R,6R)-2-[(3R,5S,6R)-5-hydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4-diol
CID 147119634
(2S,4S,5S)-2-[(2S,3S,6R)-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;(4S)-6-(hydroxymethyl)oxane-3,4-diol;dihydrate
CID 161484529
(6R)-5-[3-hydroxy-5-(3-hydroxy-5-methyloxan-2-yl)oxyoxan-2-yl]oxy-6-(hydroxymethyl)-2-methyloxan-3-ol
CID 177057755
(2S,4R,5R)-2-[(3S,6R)-5,6-dihydroxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;methanol
CID 91516451
6-(hydroxymethyl)-2,5-dimethoxyoxan-3-ol
CID 146226308

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol?
The IUPAC name of (2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol (CID 142436964) is (2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol.
What is the SMILES notation for (2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol?
The canonical SMILES for (2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol is OCC1CC(O[C@H]2OC(CO)[C@@H](O)CC2O)C(O)CO1.
What is the InChIKey of (2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol?
The InChIKey is KZVYTJXPGMOOIF-HBWQVVMDSA-N. The full InChI is InChI=1S/C12H22O8/c13-3-6-1-10(9(17)5-18-6)19-12-8(16)2-7(15)11(4-14)20-12/h6-17H,1-5H2/t6?,7-,8?,9?,10?,11?,12-/m0/s1.
What are the key properties of (2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol?
(2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol has a molecular weight of 294.30 g/mol, XLogP of -2.66, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2-[5-hydroxy-2-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,5-diol is sourced from PubChem (CID 142436964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).