(2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol

C21H22N2O4 — CID 73349379

IUPAC(2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@@H](O)[C@@H](O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C21H22N2O4/c24-11-18(25)20(26)21(27)19(14-9-22-16-7-3-1-5-12(14)16)15-10-23-17-8-4-2-6-13(15)17/h1-10,18-27H,11H2/t18-,20-,21+/m1/s1
InChIKeyZOZWBDNYRUURIS-NRSPTQNISA-N
MW366.42 g/mol
LogP1.86
Rot. Bonds6

About (2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol

(2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol (PubChem CID 73349379) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is (2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol.

Molecular Properties

Compound Name(2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol
PubChem CID73349379
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Name(2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol
SMILESOC[C@@H](O)[C@@H](O)[C@@H](O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12
InChIInChI=1S/C21H22N2O4/c24-11-18(25)20(26)21(27)19(14-9-22-16-7-3-1-5-12(14)16)15-10-23-17-8-4-2-6-13(15)17/h1-10,18-27H,11H2/t18-,20-,21+/m1/s1
InChIKeyZOZWBDNYRUURIS-NRSPTQNISA-N
XLogP1.86
TPSA112.50 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 51.86
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Analyze (2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2R)-2-(1H-indol-3-yl)-1,2-diphenylethanol
CID 15981834
(1R,2R)-2-(1H-indol-3-yl)-1,2-bis(4-methylphenyl)ethanol
CID 164684988
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
3-amino-1-(1H-indol-3-yl)propan-1-ol
CID 82281300
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
2-(ethylamino)-2-(1H-indol-3-yl)ethanol
CID 82282852
4-(1H-indol-3-yl)-2-methylhexan-1-ol
CID 174277465
3-propan-2-yl-1H-indole
CID 12534824
2-[4-[2-amino-2-hydroxy-1-(1H-indol-3-yl)ethyl]phenyl]acetonitrile
CID 70613772
(2S)-3-(1H-indol-3-yl)-2-[[(2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoyl]amino]propanoic acid
CID 174649579
2-hydroxy-N-[(1S)-2-hydroxy-1-(4-hydroxyphenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 101350086
[(2S)-2-hydroxy-2-(1H-indol-3-yl)ethyl]-propan-2-ylazanium
CID 7308487

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol?
The IUPAC name of (2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol (CID 73349379) is (2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol.
What is the SMILES notation for (2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol?
The canonical SMILES for (2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol is OC[C@@H](O)[C@@H](O)[C@@H](O)C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12.
What is the InChIKey of (2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol?
The InChIKey is ZOZWBDNYRUURIS-NRSPTQNISA-N. The full InChI is InChI=1S/C21H22N2O4/c24-11-18(25)20(26)21(27)19(14-9-22-16-7-3-1-5-12(14)16)15-10-23-17-8-4-2-6-13(15)17/h1-10,18-27H,11H2/t18-,20-,21+/m1/s1.
What are the key properties of (2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol?
(2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol has a molecular weight of 366.42 g/mol, XLogP of 1.86, 6 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-5,5-bis(1H-indol-3-yl)pentane-1,2,3,4-tetrol is sourced from PubChem (CID 73349379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).