(2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol

C24H22N2O4 — CID 15705736

IUPAC(2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol
SMILESC[C@@H]1O[C@@H](n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H22N2O4/c1-12-21(27)22(28)23(29)24(30-12)26-18-9-5-3-7-14(18)16-11-10-15-13-6-2-4-8-17(13)25-19(15)20(16)26/h2-12,21-25,27-29H,1H3/t12-,21-,22+,23+,24+/m0/s1
InChIKeyWAYQLPDVCJWOAA-XRGZWHKWSA-N
MW402.45 g/mol
LogP3.43
Rot. Bonds1

About (2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol

(2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol (PubChem CID 15705736) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is (2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol.

Molecular Properties

Compound Name(2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol
PubChem CID15705736
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name(2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol
SMILESC[C@@H]1O[C@@H](n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C24H22N2O4/c1-12-21(27)22(28)23(29)24(30-12)26-18-9-5-3-7-14(18)16-11-10-15-13-6-2-4-8-17(13)25-19(15)20(16)26/h2-12,21-25,27-29H,1H3/t12-,21-,22+,23+,24+/m0/s1
InChIKeyWAYQLPDVCJWOAA-XRGZWHKWSA-N
XLogP3.43
TPSA90.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol with MolForge

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Related Compounds

(2R,3R,4S,5S,6R)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol
CID 146683638
2-(3-chloro-12H-indolo[2,3-a]carbazol-11-yl)oxane-3,4,5-triol
CID 163042981
9-(5-carbazol-9-yl-3,6-dimethyl-1,4-dioxan-2-yl)carbazole
CID 4919768
12-tert-butyl-11H-indolo[2,3-a]carbazole
CID 172511802
12-(4-bromophenyl)-11H-indolo[2,3-a]carbazole
CID 135315039
9-(1,3-dihydroxypropan-2-yl)-4,5-bis(ethenyl)-19-(3,4,5-trihydroxy-6-methyloxan-2-yl)-3,9,19-triazapentacyclo[10.7.0.02,6.07,11.013,18]nonadeca-1,4,6,11,13,15,17-heptaene-8,10-dione;ethane;methanol
CID 142023798
13-methyl-3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 10600476
12-[4-(3-phenylphenyl)phenyl]-11H-indolo[2,3-a]carbazole
CID 165165620
3-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 10323743
dimethyl 12-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-11H-indolo[2,3-a]carbazole-5,6-dicarboxylate
CID 11785403
3-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,23-diazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaen-12-one
CID 58292357
3-[(2R,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4,6,8,10,15,17,19,21-nonaene-12,14-dione
CID 139953974

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol?
The IUPAC name of (2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol (CID 15705736) is (2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol.
What is the SMILES notation for (2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol?
The canonical SMILES for (2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol is C[C@@H]1O[C@@H](n2c3ccccc3c3ccc4c5ccccc5[nH]c4c32)[C@H](O)[C@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol?
The InChIKey is WAYQLPDVCJWOAA-XRGZWHKWSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-12-21(27)22(28)23(29)24(30-12)26-18-9-5-3-7-14(18)16-11-10-15-13-6-2-4-8-17(13)25-19(15)20(16)26/h2-12,21-25,27-29H,1H3/t12-,21-,22+,23+,24+/m0/s1.
What are the key properties of (2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol?
(2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol has a molecular weight of 402.45 g/mol, XLogP of 3.43, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R,6S)-2-(11H-indolo[2,3-a]carbazol-12-yl)-6-methyloxane-3,4,5-triol is sourced from PubChem (CID 15705736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).