(2S,3R,4S,5S,6R)-2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

(2S,3R,4S,5S,6R)-2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

CAS: 93863-89-9

Formula: C14H15BrClNO6

SMILES: OC[C@H]1O[C@@H](OC2=CNC3=CC(Cl)=C(Br)C=C23)[C@H](O)[C@@H](O)[C@@H]1O

IUPAC: (2S,3R,4S,5S,6R)-2-[(5-bromo-6-chloro-1H-indol-3-yl)oxy]-6-(hydroxymethyl)oxane-3,4,5-triol

InChI: InChI=1S/C14H15BrClNO6/c15-6-1-5-8(2-7(6)16)17-3-9(5)22-14-13(21)12(20)11(19)10(4-18)23-14/h1-3,10-14,17-21H,4H2/t10-,11-,12+,13-,14-/m1/s1

Composition: C (41.15%), H (3.70%), Br (19.55%), Cl (8.68%), N (3.43%), O (23.49%)

Molar Mass: 408.63

Atom Count: 38

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	5
Exact Mass	406.977128
Formal Charge	0
FSP3	0.43
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	5
InChIKey	CHRVKCMQIZYLNM-RKQHYHRCSA-N
Lipinski's Rule of Five	1
Molar Refractivity	83.7
Topological Polar Surface Area	115.17
Polarizability	34.64
Ring Count	3
Rotatable Bond Count	3

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