(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

C26H50O11 — CID 102216844

IUPAC(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
SMILESCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C26H50O11/c1-6-13(2)7-14(3)8-15(4)9-16(5)11-34-25-24(33)22(31)20(29)18(37-25)12-35-26-23(32)21(30)19(28)17(10-27)36-26/h13-33H,6-12H2,1-5H3/t13-,14-,15-,16-,17-,18-,19+,20-,21+,22+,23-,24-,25-,26+/m1/s1
InChIKeyRBNMONUVYMARLE-RLINVXEKSA-N
MW538.68 g/mol
LogP-0.25
Rot. Bonds14

About (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol

(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol (PubChem CID 102216844) has the molecular formula C26H50O11 and a molecular weight of 538.68 g/mol. Its IUPAC name is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
PubChem CID102216844
Molecular FormulaC26H50O11
Molecular Weight538.68 g/mol
Exact Mass538.34
IUPAC Name(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
SMILESCC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C26H50O11/c1-6-13(2)7-14(3)8-15(4)9-16(5)11-34-25-24(33)22(31)20(29)18(37-25)12-35-26-23(32)21(30)19(28)17(10-27)36-26/h13-33H,6-12H2,1-5H3/t13-,14-,15-,16-,17-,18-,19+,20-,21+,22+,23-,24-,25-,26+/m1/s1
InChIKeyRBNMONUVYMARLE-RLINVXEKSA-N
XLogP-0.25
TPSA178.53 Ų
H-Bond Donors7
H-Bond Acceptors11
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500538.68
LogP ≤ 5-0.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1011

Analyze (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3R,4S,5R)-2-(hydroxymethyl)-6-[(2S)-2-hydroxypropoxy]oxane-3,4,5-triol
CID 175158371
(3S,4S,6S)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
CID 159586267
(3R,6R)-2-(hydroxymethyl)-6-(2-methylpropoxy)oxane-3,4,5-triol
CID 58429897
(2R,3S,4S)-2-(hydroxymethyl)-5-(2-methylpropoxy)oxolane-3,4-diol
CID 123699386
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2S,3S)-3-hydroxyoxiran-2-yl]methoxy]oxane-3,4,5-triol
CID 171124876
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3R,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 10926361
(2S,3R,4R,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 162937440
(2R,3S,4S,5S,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101094442
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
CID 101155404
(2R,3S,4R,5S,6R,7S)-2-(hydroxymethyl)-7-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]oxepane-3,4,5,6-tetrol
CID 25194280
(2R,3R,4R,5S,6R)-6-[[(2S,3S,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 162942184
(3R,4S,5R,6R)-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
CID 22524354

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol (CID 102216844) is (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol is CC[C@@H](C)C[C@@H](C)C[C@@H](C)C[C@@H](C)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?
The InChIKey is RBNMONUVYMARLE-RLINVXEKSA-N. The full InChI is InChI=1S/C26H50O11/c1-6-13(2)7-14(3)8-15(4)9-16(5)11-34-25-24(33)22(31)20(29)18(37-25)12-35-26-23(32)21(30)19(28)17(10-27)36-26/h13-33H,6-12H2,1-5H3/t13-,14-,15-,16-,17-,18-,19+,20-,21+,22+,23-,24-,25-,26+/m1/s1.
What are the key properties of (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol?
(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 538.68 g/mol, XLogP of -0.25, 14 rotatable bonds, 7 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2R,4R,6R,8R)-2,4,6,8-tetramethyldecoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 102216844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).