Text Search
Structure Search

(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6S)-6-(2-chloro-4-nitrophenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

(2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6S)-6-(2-chloro-4-nitrophenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

CAS: 165522-16-7

Formula: C24H34ClNO18

SMILES: OC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@H](OC4=CC=C(C=C4Cl)N(=O)=O)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1O

IUPAC: (2R,3R,4S,5S,6R)-2-{[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6S)-6-(2-chloro-4-nitrophenoxy)-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triol

InChI: InChI=1S/C24H34ClNO18/c25-8-3-7(26(37)38)1-2-9(8)39-22-18(35)15(32)20(11(5-28)41-22)44-24-19(36)16(33)21(12(6-29)42-24)43-23-17(34)14(31)13(30)10(4-27)40-23/h1-3,10-24,27-36H,4-6H2/t10-,11-,12-,13-,14+,15-,16-,17+,18-,19+,20+,21-,22-,23-,24-/m1/s1

Composition: C (43.68%), H (5.19%), Cl (5.37%), N (2.12%), O (43.64%)

Molar Mass: 659.98

Atom Count: 78

Heavy Atom Count: 44

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 15
Exact Mass 659.146441
Formal Charge 0
FSP3 0.75
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 18
Hydrogen Bond Donor Count 10
InChIKey KMYYNUOXSFGLNX-KKFBLJMZSA-N
Lipinski's Rule of Five
Molar Refractivity 137.14
Topological Polar Surface Area 303.5
Polarizability 56.28
Ring Count 4
Rotatable Bond Count 10

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 165522-16-7 $232.88-$661.37$232.88$288.77$368.46$478.17$661.37
Request Quote
AA BLOCKS INC
Purity LeadTime CAS PacketSize UnitPrice
% <6 Days 165522-16-7 $123.05-$510.60$123.05$172.50$244.95$345.00$510.60
Request Quote