(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol

C25H25NO6 — CID 11339528

IUPAC(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Oc2cccc3[nH]cc(Cc4ccc5ccccc5c4)c23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C25H25NO6/c27-13-20-22(28)23(29)24(30)25(32-20)31-19-7-3-6-18-21(19)17(12-26-18)11-14-8-9-15-4-1-2-5-16(15)10-14/h1-10,12,20,22-30H,11,13H2/t20-,22-,23+,24-,25-/m1/s1
InChIKeyXLARTENOVQLVMQ-PRDVQWLOSA-N
MW435.48 g/mol
LogP2.09
Rot. Bonds5

About (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol

(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol (PubChem CID 11339528) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol
PubChem CID11339528
Molecular FormulaC25H25NO6
Molecular Weight435.48 g/mol
Exact Mass435.17
IUPAC Name(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol
SMILESOC[C@H]1O[C@@H](Oc2cccc3[nH]cc(Cc4ccc5ccccc5c4)c23)[C@H](O)[C@@H](O)[C@@H]1O
InChIInChI=1S/C25H25NO6/c27-13-20-22(28)23(29)24(30)25(32-20)31-19-7-3-6-18-21(19)17(12-26-18)11-14-8-9-15-4-1-2-5-16(15)10-14/h1-10,12,20,22-30H,11,13H2/t20-,22-,23+,24-,25-/m1/s1
InChIKeyXLARTENOVQLVMQ-PRDVQWLOSA-N
XLogP2.09
TPSA115.17 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 52.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol?
The IUPAC name of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol (CID 11339528) is (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol.
What is the SMILES notation for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol?
The canonical SMILES for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol is OC[C@H]1O[C@@H](Oc2cccc3[nH]cc(Cc4ccc5ccccc5c4)c23)[C@H](O)[C@@H](O)[C@@H]1O.
What is the InChIKey of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol?
The InChIKey is XLARTENOVQLVMQ-PRDVQWLOSA-N. The full InChI is InChI=1S/C25H25NO6/c27-13-20-22(28)23(29)24(30)25(32-20)31-19-7-3-6-18-21(19)17(12-26-18)11-14-8-9-15-4-1-2-5-16(15)10-14/h1-10,12,20,22-30H,11,13H2/t20-,22-,23+,24-,25-/m1/s1.
What are the key properties of (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol?
(2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol has a molecular weight of 435.48 g/mol, XLogP of 2.09, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[[3-(naphthalen-2-ylmethyl)-1H-indol-4-yl]oxy]oxane-3,4,5-triol is sourced from PubChem (CID 11339528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).