(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

C19H34O15 — CID 44559218

IUPAC(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@H](CC[C@H]2O[C@H](OC[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H34O15/c20-3-7-11(23)13(25)9(21)5(32-7)1-2-6-10(22)15(27)17(29)19(34-6)31-4-8-12(24)14(26)16(28)18(30)33-8/h5-30H,1-4H2/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14+,15+,16-,17-,18+,19+/m1/s1
InChIKeyULOLUJGFECJEML-LJWPGSNHSA-N
MW502.47 g/mol
LogP-6.77
Rot. Bonds7

About (2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol

(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (PubChem CID 44559218) has the molecular formula C19H34O15 and a molecular weight of 502.47 g/mol. Its IUPAC name is (2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.

Molecular Properties

Compound Name(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
PubChem CID44559218
Molecular FormulaC19H34O15
Molecular Weight502.47 g/mol
Exact Mass502.19
IUPAC Name(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol
SMILESOC[C@H]1O[C@H](CC[C@H]2O[C@H](OC[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C19H34O15/c20-3-7-11(23)13(25)9(21)5(32-7)1-2-6-10(22)15(27)17(29)19(34-6)31-4-8-12(24)14(26)16(28)18(30)33-8/h5-30H,1-4H2/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14+,15+,16-,17-,18+,19+/m1/s1
InChIKeyULOLUJGFECJEML-LJWPGSNHSA-N
XLogP-6.77
TPSA259.45 Ų
H-Bond Donors11
H-Bond Acceptors15
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500502.47
LogP ≤ 5-6.77
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1015

Analyze (2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?
The IUPAC name of (2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol (CID 44559218) is (2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol.
What is the SMILES notation for (2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?
The canonical SMILES for (2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol is OC[C@H]1O[C@H](CC[C@H]2O[C@H](OC[C@H]3O[C@H](O)[C@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?
The InChIKey is ULOLUJGFECJEML-LJWPGSNHSA-N. The full InChI is InChI=1S/C19H34O15/c20-3-7-11(23)13(25)9(21)5(32-7)1-2-6-10(22)15(27)17(29)19(34-6)31-4-8-12(24)14(26)16(28)18(30)33-8/h5-30H,1-4H2/t5-,6-,7-,8-,9+,10-,11-,12-,13-,14+,15+,16-,17-,18+,19+/m1/s1.
What are the key properties of (2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol?
(2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol has a molecular weight of 502.47 g/mol, XLogP of -6.77, 7 rotatable bonds, 11 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S,6R)-6-[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[2-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]ethyl]oxan-2-yl]oxymethyl]oxane-2,3,4,5-tetrol is sourced from PubChem (CID 44559218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).