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Rebeccamycin solid

CAT: 0862-GA2054-250ugSize: 250 µgDry Ice: NoHazardous: No
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CAT#:0862-GA2054-250ugSize:250 µg
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CAS Number
93908-02-2
MDL Number
MFCD01718312
Molecular Formula
C27H21Cl2N3O7
Molecular Weight
570.4
Storage Conditions
-20°C
Hazardous Class
Not hazardous

Chemical Information

Rebeccamycin

Rebeccamycin is a N-glycosyl compound, an organochlorine compound, an organic heterohexacyclic compound and an indolocarbazole.

CAS Number93908-02-2
PubChem CID73110
IUPAC Name5,21-dichloro-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(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
Molecular FormulaC27H21Cl2N3O7
Molecular Weight570.4
XLogP2.6
Topological Polar Surface Area146
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count39
Formal Charge0
Complexity1010
SMILES
CO[C@@H]1[C@H](O[C@H]([C@@H]([C@H]1O)O)N2C3=C(C=CC=C3Cl)C4=C5C(=C6C7=C(C(=CC=C7)Cl)NC6=C42)C(=O)NC5=O)CO
InChI
InChI=1S/C27H21Cl2N3O7/c1-38-24-13(8-33)39-27(23(35)22(24)34)32-20-10(5-3-7-12(20)29)15-17-16(25(36)31-26(17)37)14-9-4-2-6-11(28)18(9)30-19(14)21(15)32/h2-7,13,22-24,27,30,33-35H,8H2,1H3,(H,31,36,37)/t13-,22-,23-,24-,27-/m1/s1
InChIKey
QEHOIJJIZXRMAN-QZQSLCQPSA-N
Chemical Structure
2D Structure
2D structure of Rebeccamycin
CAS: 93908-02-2
CID: 73110
Formula: C27H21Cl2N3O7
MW: 570.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight570.4
XLogP32.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass569.0756554
Monoisotopic Mass569.0756554
Topological Polar Surface Area146 Ų
Heavy Atom Count39
Formal Charge0
Complexity1010
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-19825Rebeccamycin
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NU-1051-1GUTP - Solid
NU-1047-10GGTP - Solid
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