(2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol

C22H24N2O5 — CID 174258872

IUPAC(2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCc1c2c(c(C)c3c1[nH]c1ccc(O)cc13)CN([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C=C2
InChIInChI=1S/C22H24N2O5/c1-10-15-8-24(22-21(28)20(27)17(9-25)29-22)6-5-13(15)11(2)19-18(10)14-7-12(26)3-4-16(14)23-19/h3-7,17,20-23,25-28H,8-9H2,1-2H3/t17-,20-,21-,22-/m1/s1
InChIKeyYPFUJFLSCOWLOO-BRKWEVRTSA-N
MW396.44 g/mol
LogP1.87
Rot. Bonds2

About (2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 174258872) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID174258872
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name(2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCc1c2c(c(C)c3c1[nH]c1ccc(O)cc13)CN([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C=C2
InChIInChI=1S/C22H24N2O5/c1-10-15-8-24(22-21(28)20(27)17(9-25)29-22)6-5-13(15)11(2)19-18(10)14-7-12(26)3-4-16(14)23-19/h3-7,17,20-23,25-28H,8-9H2,1-2H3/t17-,20-,21-,22-/m1/s1
InChIKeyYPFUJFLSCOWLOO-BRKWEVRTSA-N
XLogP1.87
TPSA109.18 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol with MolForge

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Related Compounds

(2S,3R,4R,5S)-2-(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 70693428
(2S,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 70687169
(3S)-3-amino-4-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-4-oxobutanoic acid;dihydrochloride
CID 67724928
(2R,3S,4S,5R)-2-(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol acetate
CID 70687166
7-hydroxy-27-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-20,23-dioxa-3,13,27-triazaheptacyclo[14.11.0.02,10.04,9.011,15.017,26.019,24]heptacosa-1,4(9),5,7,10,15,17,19(24),25-nonaene-12,14-dione
CID 91183391
(3S,4R,5R)-2-(9-hydroxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)oxane-3,4,5-triol bromide
CID 70370800
1-[(2S,3S,4S,5S)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-hydroxypyridin-2-one
CID 54697114
(3S,4R,5S)-2-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-2-ium-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol bromide
CID 46874352
7-hydroxy-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-20,23-dioxa-3,13,27-triazaheptacyclo[14.11.0.02,10.04,9.011,15.017,26.019,24]heptacosa-1,4(9),5,7,10,15,17,19(24),25-nonaene-12,14-dione
CID 91158580
6,20-dihydroxy-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
CID 22912790
13-(1,3-dihydroxypropan-2-ylamino)-3-[(3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-6,12,14,20-tetrol
CID 11570801
1-O-[[1-[(2R,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]triazol-4-yl]methyl] 4-O-(5,11-dimethyl-6H-pyrido[4,3-b]carbazol-9-yl) butanedioate
CID 132519251

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol (CID 174258872) is (2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol is Cc1c2c(c(C)c3c1[nH]c1ccc(O)cc13)CN([C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)C=C2.
What is the InChIKey of (2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is YPFUJFLSCOWLOO-BRKWEVRTSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-10-15-8-24(22-21(28)20(27)17(9-25)29-22)6-5-13(15)11(2)19-18(10)14-7-12(26)3-4-16(14)23-19/h3-7,17,20-23,25-28H,8-9H2,1-2H3/t17-,20-,21-,22-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 396.44 g/mol, XLogP of 1.87, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-(9-hydroxy-5,11-dimethyl-1,6-dihydropyrido[4,3-b]carbazol-2-yl)-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 174258872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).