5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol

C15H28O10 — CID 59602798

IUPAC5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
SMILESCOC1OC(CO)C(OC2CC(CO)C(OC)C(O)C2O)C(O)C1O
InChIInChI=1S/C15H28O10/c1-22-13-6(4-16)3-7(9(18)10(13)19)24-14-8(5-17)25-15(23-2)12(21)11(14)20/h6-21H,3-5H2,1-2H3
InChIKeyUUEVIHYCUOWBDY-UHFFFAOYSA-N
MW368.38 g/mol
LogP-3.43
Rot. Bonds6

About 5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol

5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol (PubChem CID 59602798) has the molecular formula C15H28O10 and a molecular weight of 368.38 g/mol. Its IUPAC name is 5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol.

Molecular Properties

Compound Name5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
PubChem CID59602798
Molecular FormulaC15H28O10
Molecular Weight368.38 g/mol
Exact Mass368.17
IUPAC Name5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol
SMILESCOC1OC(CO)C(OC2CC(CO)C(OC)C(O)C2O)C(O)C1O
InChIInChI=1S/C15H28O10/c1-22-13-6(4-16)3-7(9(18)10(13)19)24-14-8(5-17)25-15(23-2)12(21)11(14)20/h6-21H,3-5H2,1-2H3
InChIKeyUUEVIHYCUOWBDY-UHFFFAOYSA-N
XLogP-3.43
TPSA158.30 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.38
LogP ≤ 5-3.43
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

Analyze 5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol with MolForge

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Related Compounds

(2R,4S,5S)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 153463753
(3R,4R,5R)-6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol
CID 58090235
6-(hydroxymethyl)-2,5-dimethoxyoxane-3,4-diol;methane
CID 163618143
(2R,4R,5S)-2-[(1S,4R)-5-hydroxy-2-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-5-methoxyoxane-3,4-diol
CID 162699528
(2S,3S,5S)-2-[(3S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)-4-methoxyoxane-3,5-diol
CID 90346392
(2S,3S,4S,5R,6R)-2-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 124789581
(2S,3R,4R,5S,6S)-2-[(2S,3S,4S,5S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 93233211
(2R,5S)-2-[(3S,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71132378
(2R,3R,4S,5S,6R)-2-[(3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59360925
(2R,3S,4S,5S,6R)-2-[(2R,4R,5S,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 102602594
(2S,4S,5R)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 158464643
(2R,4S,5S)-2-[(3S,4R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
CID 69030583

Frequently Asked Questions

What is the IUPAC name of 5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The IUPAC name of 5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol (CID 59602798) is 5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol.
What is the SMILES notation for 5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The canonical SMILES for 5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol is COC1OC(CO)C(OC2CC(CO)C(OC)C(O)C2O)C(O)C1O.
What is the InChIKey of 5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
The InChIKey is UUEVIHYCUOWBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O10/c1-22-13-6(4-16)3-7(9(18)10(13)19)24-14-8(5-17)25-15(23-2)12(21)11(14)20/h6-21H,3-5H2,1-2H3.
What are the key properties of 5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol?
5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol has a molecular weight of 368.38 g/mol, XLogP of -3.43, 6 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2,3-dihydroxy-5-(hydroxymethyl)-4-methoxycyclohexyl]oxy-6-(hydroxymethyl)-2-methoxyoxane-3,4-diol is sourced from PubChem (CID 59602798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).