2-(hydroxymethyl)-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol

C13H24O11 — CID 18345556

IUPAC2-(hydroxymethyl)-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
SMILESCC1OC(O)(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChIInChI=1S/C13H24O11/c1-4-6(16)9(19)11(13(21,3-15)24-4)23-12-10(20)8(18)7(17)5(2-14)22-12/h4-12,14-21H,2-3H2,1H3
InChIKeyGFIZWLOKVXCBRA-UHFFFAOYSA-N
MW356.32 g/mol
LogP-5.01
Rot. Bonds4

About 2-(hydroxymethyl)-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol

2-(hydroxymethyl)-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol (PubChem CID 18345556) has the molecular formula C13H24O11 and a molecular weight of 356.32 g/mol. Its IUPAC name is 2-(hydroxymethyl)-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol.

Molecular Properties

Compound Name2-(hydroxymethyl)-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
PubChem CID18345556
Molecular FormulaC13H24O11
Molecular Weight356.32 g/mol
Exact Mass356.13
IUPAC Name2-(hydroxymethyl)-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
SMILESCC1OC(O)(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O
InChIInChI=1S/C13H24O11/c1-4-6(16)9(19)11(13(21,3-15)24-4)23-12-10(20)8(18)7(17)5(2-14)22-12/h4-12,14-21H,2-3H2,1H3
InChIKeyGFIZWLOKVXCBRA-UHFFFAOYSA-N
XLogP-5.01
TPSA189.53 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500356.32
LogP ≤ 5-5.01
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

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Related Compounds

(2R,3R,4S,5S,6R)-2-[(3S,4R,5R)-2,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 15156515
(2R,3S,4S,5S,6S)-2-methyl-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 123922812
2-(hydroxymethyl)-3-[(4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
CID 135296253
(2S,3S,4S,5S)-2-(hydroxymethyl)-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
CID 7332594
(2S,3S,4R,5R)-2-(hydroxymethyl)-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol
CID 7332598
(2R,3S,4S,5R)-2,5-bis(hydroxymethyl)oxolane-2,3,4-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-3,4,5-triol
CID 70152733
(2S,3S,4R,5S,6S)-2-[(2S,3S,4S,5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 99721432
(2R,3S,4R,5R,6S)-2-[(2S,3S,4S,5S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124905361
(2S,3R,4S,5S,6R)-2-[(2R,3S,4S)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102486295
(2S,3R,4S,5R,6R)-2-[(2R,3R,4S,5R)-4,5-dihydroxy-2,5-bis(hydroxymethyl)oxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 122173797
2-[4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 91696349
(2R,3R,4S,5S,6R)-2-[(2S,3R,4R,5R)-4-hydroxy-2,5-bis(hydroxymethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 98116835

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol?
The IUPAC name of 2-(hydroxymethyl)-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol (CID 18345556) is 2-(hydroxymethyl)-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol.
What is the SMILES notation for 2-(hydroxymethyl)-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol?
The canonical SMILES for 2-(hydroxymethyl)-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol is CC1OC(O)(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O.
What is the InChIKey of 2-(hydroxymethyl)-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol?
The InChIKey is GFIZWLOKVXCBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O11/c1-4-6(16)9(19)11(13(21,3-15)24-4)23-12-10(20)8(18)7(17)5(2-14)22-12/h4-12,14-21H,2-3H2,1H3.
What are the key properties of 2-(hydroxymethyl)-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol?
2-(hydroxymethyl)-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol has a molecular weight of 356.32 g/mol, XLogP of -5.01, 4 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-6-methyl-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2,4,5-triol is sourced from PubChem (CID 18345556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).