(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol

C20H27NO11 — CID 10226298

IUPAC(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c[nH]c4ccccc34)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H27NO11/c22-6-11-13(23)15(25)17(27)19(31-11)29-7-12-14(24)16(26)18(28)20(32-12)30-10-5-21-9-4-2-1-3-8(9)10/h1-5,11-28H,6-7H2/t11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1
InChIKeyIBGZNOPZUVZSEJ-XSVWGIRKSA-N
MW457.43 g/mol
LogP-2.83
Rot. Bonds6

About (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol (PubChem CID 10226298) has the molecular formula C20H27NO11 and a molecular weight of 457.43 g/mol. Its IUPAC name is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
PubChem CID10226298
Molecular FormulaC20H27NO11
Molecular Weight457.43 g/mol
Exact Mass457.16
IUPAC Name(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c[nH]c4ccccc34)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C20H27NO11/c22-6-11-13(23)15(25)17(27)19(31-11)29-7-12-14(24)16(26)18(28)20(32-12)30-10-5-21-9-4-2-1-3-8(9)10/h1-5,11-28H,6-7H2/t11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1
InChIKeyIBGZNOPZUVZSEJ-XSVWGIRKSA-N
XLogP-2.83
TPSA194.32 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500457.43
LogP ≤ 5-2.83
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol (CID 10226298) is (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol is OC[C@H]1O[C@@H](OC[C@H]2O[C@@H](Oc3c[nH]c4ccccc34)[C@H](O)[C@@H](O)[C@@H]2O)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol?
The InChIKey is IBGZNOPZUVZSEJ-XSVWGIRKSA-N. The full InChI is InChI=1S/C20H27NO11/c22-6-11-13(23)15(25)17(27)19(31-11)29-7-12-14(24)16(26)18(28)20(32-12)30-10-5-21-9-4-2-1-3-8(9)10/h1-5,11-28H,6-7H2/t11-,12-,13-,14-,15+,16+,17-,18-,19-,20-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol has a molecular weight of 457.43 g/mol, XLogP of -2.83, 6 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(1H-indol-3-yloxy)oxan-2-yl]methoxy]oxane-3,4,5-triol is sourced from PubChem (CID 10226298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).