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

C24H23NO4 — CID 70696981

IUPAC(2S,3R,4S,5R)-2-[1-(naphthalen-2-ylmethyl)indol-3-yl]oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](c2cn(Cc3ccc4ccccc4c3)c3ccccc23)OC[C@H]1O
InChIInChI=1S/C24H23NO4/c26-21-14-29-24(23(28)22(21)27)19-13-25(20-8-4-3-7-18(19)20)12-15-9-10-16-5-1-2-6-17(16)11-15/h1-11,13,21-24,26-28H,12,14H2/t21-,22+,23-,24+/m1/s1
InChIKeyNLFQFWBEDCBEBR-QPXUXIHVSA-N
MW389.45 g/mol
LogP3.00
Rot. Bonds3

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

(2S,3R,4S,5R)-2-[1-(naphthalen-2-ylmethyl)indol-3-yl]oxane-3,4,5-triol (PubChem CID 70696981) has the molecular formula C24H23NO4 and a molecular weight of 389.45 g/mol. Its IUPAC name is (2S,3R,4S,5R)-2-[1-(naphthalen-2-ylmethyl)indol-3-yl]oxane-3,4,5-triol.

Molecular Properties

Compound Name(2S,3R,4S,5R)-2-[1-(naphthalen-2-ylmethyl)indol-3-yl]oxane-3,4,5-triol
PubChem CID70696981
Molecular FormulaC24H23NO4
Molecular Weight389.45 g/mol
Exact Mass389.16
IUPAC Name(2S,3R,4S,5R)-2-[1-(naphthalen-2-ylmethyl)indol-3-yl]oxane-3,4,5-triol
SMILESO[C@@H]1[C@@H](O)[C@H](c2cn(Cc3ccc4ccccc4c3)c3ccccc23)OC[C@H]1O
InChIInChI=1S/C24H23NO4/c26-21-14-29-24(23(28)22(21)27)19-13-25(20-8-4-3-7-18(19)20)12-15-9-10-16-5-1-2-6-17(16)11-15/h1-11,13,21-24,26-28H,12,14H2/t21-,22+,23-,24+/m1/s1
InChIKeyNLFQFWBEDCBEBR-QPXUXIHVSA-N
XLogP3.00
TPSA74.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-2-[1-(naphthalen-2-ylmethyl)indol-3-yl]oxane-3,4,5-triol?
The IUPAC name of (2S,3R,4S,5R)-2-[1-(naphthalen-2-ylmethyl)indol-3-yl]oxane-3,4,5-triol (CID 70696981) is (2S,3R,4S,5R)-2-[1-(naphthalen-2-ylmethyl)indol-3-yl]oxane-3,4,5-triol.
What is the SMILES notation for (2S,3R,4S,5R)-2-[1-(naphthalen-2-ylmethyl)indol-3-yl]oxane-3,4,5-triol?
The canonical SMILES for (2S,3R,4S,5R)-2-[1-(naphthalen-2-ylmethyl)indol-3-yl]oxane-3,4,5-triol is O[C@@H]1[C@@H](O)[C@H](c2cn(Cc3ccc4ccccc4c3)c3ccccc23)OC[C@H]1O.
What is the InChIKey of (2S,3R,4S,5R)-2-[1-(naphthalen-2-ylmethyl)indol-3-yl]oxane-3,4,5-triol?
The InChIKey is NLFQFWBEDCBEBR-QPXUXIHVSA-N. The full InChI is InChI=1S/C24H23NO4/c26-21-14-29-24(23(28)22(21)27)19-13-25(20-8-4-3-7-18(19)20)12-15-9-10-16-5-1-2-6-17(16)11-15/h1-11,13,21-24,26-28H,12,14H2/t21-,22+,23-,24+/m1/s1.
What are the key properties of (2S,3R,4S,5R)-2-[1-(naphthalen-2-ylmethyl)indol-3-yl]oxane-3,4,5-triol?
(2S,3R,4S,5R)-2-[1-(naphthalen-2-ylmethyl)indol-3-yl]oxane-3,4,5-triol has a molecular weight of 389.45 g/mol, XLogP of 3.00, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-2-[1-(naphthalen-2-ylmethyl)indol-3-yl]oxane-3,4,5-triol is sourced from PubChem (CID 70696981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).