(3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium)

C52H89ClN4O8S2V2 — CID 158741260

IUPAC(3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CS(=O)(=O)Cl.CS(=O)(=O)N[C@H]1COCC(n2c3ccccc3c3ccccc32)[C@@H]1O.N[C@H]1COCC(n2c3ccccc3c3ccccc32)[C@@H]1O.[V].[V]
InChIInChI=1S/C18H20N2O4S.C17H18N2O2.8C2H6.CH3ClO2S.2V/c1-25(22,23)19-14-10-24-11-17(18(14)21)20-15-8-4-2-6-12(15)13-7-3-5-9-16(13)20;18-13-9-21-10-16(17(13)20)19-14-7-3-1-5-11(14)12-6-2-4-8-15(12)19;8*1-2;1-5(2,3)4;;/h2-9,14,17-19,21H,10-11H2,1H3;1-8,13,16-17,20H,9-10,18H2;8*1-2H3;1H3;;/t14-,17?,18+;13-,16?,17+;;;;;;;;;;;/m00.........../s1
InChIKeyIMIBUOIEMHSARB-DGQGARNPSA-N
MW1099.78 g/mol
LogP12.09
Rot. Bonds4

About (3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium)

(3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium) (PubChem CID 158741260) has the molecular formula C52H89ClN4O8S2V2 and a molecular weight of 1099.78 g/mol. Its IUPAC name is (3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium).

Molecular Properties

Compound Name(3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium)
PubChem CID158741260
Molecular FormulaC52H89ClN4O8S2V2
Molecular Weight1099.78 g/mol
Exact Mass1098.47
IUPAC Name(3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium)
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CS(=O)(=O)Cl.CS(=O)(=O)N[C@H]1COCC(n2c3ccccc3c3ccccc32)[C@@H]1O.N[C@H]1COCC(n2c3ccccc3c3ccccc32)[C@@H]1O.[V].[V]
InChIInChI=1S/C18H20N2O4S.C17H18N2O2.8C2H6.CH3ClO2S.2V/c1-25(22,23)19-14-10-24-11-17(18(14)21)20-15-8-4-2-6-12(15)13-7-3-5-9-16(13)20;18-13-9-21-10-16(17(13)20)19-14-7-3-1-5-11(14)12-6-2-4-8-15(12)19;8*1-2;1-5(2,3)4;;/h2-9,14,17-19,21H,10-11H2,1H3;1-8,13,16-17,20H,9-10,18H2;8*1-2H3;1H3;;/t14-,17?,18+;13-,16?,17+;;;;;;;;;;;/m00.........../s1
InChIKeyIMIBUOIEMHSARB-DGQGARNPSA-N
XLogP12.09
TPSA175.11 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms69
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001099.78
LogP ≤ 512.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze (3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium) with MolForge

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Related Compounds

1-[1,3-Di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol
CID 3713657
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-(oxan-4-yl)methanesulfonamide
CID 127037221
US10383880, Example 241
CID 89897481
US10383880, Example 53
CID 89897633
US10383880, Example 51
CID 89897652
(2S)-1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol
CID 9511208
(2R)-1-[1,3-di(carbazol-9-yl)propan-2-yloxy]-3-(propan-2-ylamino)propan-2-ol
CID 9511211
N-[(3R,4R,5S)-5-(3,6-difluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide
CID 159950269
N-[(3R,4R,5S)-5-(3-fluorocarbazol-9-yl)-4-hydroxyoxan-3-yl]-4-methylbenzenesulfonamide
CID 160079703
N-(3-carbazol-9-yl-2-hydroxypropyl)-N-piperidin-4-ylmethanesulfonamide
CID 123407209
N-(3-carbazol-9-yl-2-hydroxypropyl)oxolane-3-sulfonamide
CID 123775517
(3R,4S,5S)-3-amino-5-carbazol-9-yloxan-4-ol
CID 126673587

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium)?
The IUPAC name of (3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium) (CID 158741260) is (3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium).
What is the SMILES notation for (3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium)?
The canonical SMILES for (3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium) is CC.CC.CC.CC.CC.CC.CC.CC.CS(=O)(=O)Cl.CS(=O)(=O)N[C@H]1COCC(n2c3ccccc3c3ccccc32)[C@@H]1O.N[C@H]1COCC(n2c3ccccc3c3ccccc32)[C@@H]1O.[V].[V].
What is the InChIKey of (3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium)?
The InChIKey is IMIBUOIEMHSARB-DGQGARNPSA-N. The full InChI is InChI=1S/C18H20N2O4S.C17H18N2O2.8C2H6.CH3ClO2S.2V/c1-25(22,23)19-14-10-24-11-17(18(14)21)20-15-8-4-2-6-12(15)13-7-3-5-9-16(13)20;18-13-9-21-10-16(17(13)20)19-14-7-3-1-5-11(14)12-6-2-4-8-15(12)19;8*1-2;1-5(2,3)4;;/h2-9,14,17-19,21H,10-11H2,1H3;1-8,13,16-17,20H,9-10,18H2;8*1-2H3;1H3;;/t14-,17?,18+;13-,16?,17+;;;;;;;;;;;/m00.........../s1.
What are the key properties of (3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium)?
(3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium) has a molecular weight of 1099.78 g/mol, XLogP of 12.09, 4 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-amino-5-carbazol-9-yloxan-4-ol;N-[(3S,4S)-5-carbazol-9-yl-4-hydroxyoxan-3-yl]methanesulfonamide;ethane;methanesulfonyl chloride;bis(vanadium) is sourced from PubChem (CID 158741260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).