(2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol

C14H26O10 — CID 102380062

IUPAC(2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChIInChI=1S/C14H26O10/c1-22-14-10(18)5(9(17)7(3-15)24-14)2-6-11(19)13(21)12(20)8(4-16)23-6/h5-21H,2-4H2,1H3/t5-,6-,7+,8+,9-,10+,11-,12-,13+,14+/m0/s1
InChIKeyNMECNZIHXHEXSB-NXASHFCESA-N
MW354.35 g/mol
LogP-4.08
Rot. Bonds5

About (2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol (PubChem CID 102380062) has the molecular formula C14H26O10 and a molecular weight of 354.35 g/mol. Its IUPAC name is (2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
PubChem CID102380062
Molecular FormulaC14H26O10
Molecular Weight354.35 g/mol
Exact Mass354.15
IUPAC Name(2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILESCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O
InChIInChI=1S/C14H26O10/c1-22-14-10(18)5(9(17)7(3-15)24-14)2-6-11(19)13(21)12(20)8(4-16)23-6/h5-21H,2-4H2,1H3/t5-,6-,7+,8+,9-,10+,11-,12-,13+,14+/m0/s1
InChIKeyNMECNZIHXHEXSB-NXASHFCESA-N
XLogP-4.08
TPSA169.30 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.35
LogP ≤ 5-4.08
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze (2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol with MolForge

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Launch Full Analysis

Related Compounds

(2R,4S,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89334759
(2R,3R,4S,5R,6R)-2-(hydroxy(113C)methyl)-6-methoxy(2,3-13C2)oxane-3,4,5-triol
CID 101247773
(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol;(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 160867169
(2S,3S,4R,5R,6S,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 90760723
(3R,4R,5R,6R)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 132769952
(6S)-2-(hydroxymethyl)-6-methoxyoxane-3,4,5-triol
CID 89221036
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-methoxyoxepane-3,4,5,6-tetrol
CID 101497446
(2R,3R,4S,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889250
(2R,3S,4R)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 11789546
(2R,3S,4R,5S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12889245
(2S,3S,4S)-2-(hydroxymethyl)-5-methoxyoxolane-3,4-diol
CID 12042993
(2R,3R,5R,6S)-2-[2-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]-6-[2-[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]ethyl]oxan-2-yl]ethyl]oxane-3,4,5-triol
CID 177463327

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol (CID 102380062) is (2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol is CO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H]1O.
What is the InChIKey of (2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
The InChIKey is NMECNZIHXHEXSB-NXASHFCESA-N. The full InChI is InChI=1S/C14H26O10/c1-22-14-10(18)5(9(17)7(3-15)24-14)2-6-11(19)13(21)12(20)8(4-16)23-6/h5-21H,2-4H2,1H3/t5-,6-,7+,8+,9-,10+,11-,12-,13+,14+/m0/s1.
What are the key properties of (2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol?
(2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol has a molecular weight of 354.35 g/mol, XLogP of -4.08, 5 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5R,6R)-2-[[(2R,3S,4S,5R,6R)-3,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-4-yl]methyl]-6-(hydroxymethyl)oxane-3,4,5-triol is sourced from PubChem (CID 102380062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).