3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one

C26H23N3O8 — CID 135474760

IUPAC3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1cc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccc(O)cc23)[nH]c1O
InChIInChI=1S/C26H23N3O8/c30-10-19-21(32)22(33)23(34)26(37-19)29-9-15(13-7-11(31)5-6-18(13)29)17-8-14(24(35)28-17)20-12-3-1-2-4-16(12)27-25(20)36/h1-9,19,21-23,26,28,30-35H,10H2/t19-,21-,22+,23-,26-/m1/s1
InChIKeyURIVKSDGOOTFPG-XZWSAFPPSA-N
MW505.48 g/mol
LogP-0.62
Rot. Bonds4

About 3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one

3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one (PubChem CID 135474760) has the molecular formula C26H23N3O8 and a molecular weight of 505.48 g/mol. Its IUPAC name is 3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one.

Molecular Properties

Compound Name3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one
PubChem CID135474760
Molecular FormulaC26H23N3O8
Molecular Weight505.48 g/mol
Exact Mass505.15
IUPAC Name3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one
SMILESO=C1N=c2ccccc2=C1c1cc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccc(O)cc23)[nH]c1O
InChIInChI=1S/C26H23N3O8/c30-10-19-21(32)22(33)23(34)26(37-19)29-9-15(13-7-11(31)5-6-18(13)29)17-8-14(24(35)28-17)20-12-3-1-2-4-16(12)27-25(20)36/h1-9,19,21-23,26,28,30-35H,10H2/t19-,21-,22+,23-,26-/m1/s1
InChIKeyURIVKSDGOOTFPG-XZWSAFPPSA-N
XLogP-0.62
TPSA180.76 Ų
H-Bond Donors7
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.48
LogP ≤ 5-0.62
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 109

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Related Compounds

3-[2-hydroxy-5-(5-hydroxy-1H-indol-3-yl)-1H-pyrrol-3-yl]indol-2-one
CID 135460761
1-[(2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indole-3-carbaldehyde
CID 95045362
1-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indole-3-carbaldehyde
CID 124526093
1-[(2R,3R,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indole-3-carbaldehyde
CID 95045363
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[3-(6-hydroxynaphthalen-2-yl)sulfanyl-5-methylindol-1-yl]oxane-3,4,5-triol
CID 59739901
1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxy-5-phenylpyridin-2-one
CID 71463260
1-[(2S,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]quinolin-4-one
CID 118450077
2-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]acetate
CID 57466632
5-(2-bromophenyl)-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 167432424
ethanol;(2R,3R,4S,5S,6R)-2-[3-[(4-ethylphenyl)methyl]indol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 71473769
(2R,3R,4S,5S,6R)-2-[5-chloro-3-(6-hydroxynaphthalen-2-yl)sulfanylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59740069
(2R,3R,4S,5S,6R)-2-[3-(4-ethylphenyl)sulfanylindol-1-yl]-6-(hydroxymethyl)oxane-3,4,5-triol
CID 59740283

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one?
The IUPAC name of 3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one (CID 135474760) is 3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one.
What is the SMILES notation for 3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one?
The canonical SMILES for 3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one is O=C1N=c2ccccc2=C1c1cc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c3ccc(O)cc23)[nH]c1O.
What is the InChIKey of 3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one?
The InChIKey is URIVKSDGOOTFPG-XZWSAFPPSA-N. The full InChI is InChI=1S/C26H23N3O8/c30-10-19-21(32)22(33)23(34)26(37-19)29-9-15(13-7-11(31)5-6-18(13)29)17-8-14(24(35)28-17)20-12-3-1-2-4-16(12)27-25(20)36/h1-9,19,21-23,26,28,30-35H,10H2/t19-,21-,22+,23-,26-/m1/s1.
What are the key properties of 3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one?
3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one has a molecular weight of 505.48 g/mol, XLogP of -0.62, 4 rotatable bonds, 7 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-5-[5-hydroxy-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]indol-3-yl]-1H-pyrrol-3-yl]indol-2-one is sourced from PubChem (CID 135474760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).