Text Search
Structure Search

(2R,3S,4R,5R,6S)-4-(benzyloxy)-2-[(benzyloxy)methyl]-5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)oxan-3-yl acetate

(2R,3S,4R,5R,6S)-4-(benzyloxy)-2-[(benzyloxy)methyl]-5-(1,3-dioxoisoindol-2-yl)-6-(4-methoxyphenoxy)oxan-3-yl acetate

CAS: 140615-77-6

Formula: C37H35NO9

SMILES: [H][C@@]1([C@H](OC2=CC=C(OC)C=C2)O[C@H](COCC2=CC=CC=C2)[C@@H](OC(C)=O)[C@@H]1OCC1=CC=CC=C1)N1C(=O)C2=CC=CC=C2C1=O

IUPAC: (2R,3S,4R,5R,6S)-4-(benzyloxy)-2-[(benzyloxy)methyl]-5-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-6-(4-methoxyphenoxy)oxan-3-yl acetate

InChI: InChI=1S/C37H35NO9/c1-24(39)45-33-31(23-43-21-25-11-5-3-6-12-25)47-37(46-28-19-17-27(42-2)18-20-28)32(34(33)44-22-26-13-7-4-8-14-26)38-35(40)29-15-9-10-16-30(29)36(38)41/h3-20,31-34,37H,21-23H2,1-2H3/t31-,32+,33-,34+,37-/m1/s1

Composition: C (69.69%), H (5.53%), N (2.20%), O (22.58%)

Molar Mass: 637.685

Atom Count: 82

Heavy Atom Count: 47

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 5
Exact Mass 637.231181711
Formal Charge 0
FSP3 0.27
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 0
InChIKey QZTMIUALKXAHCQ-LEWWELECSA-N
Lipinski's Rule of Five
Molar Refractivity 170.48
Topological Polar Surface Area 109.83
Polarizability 66.64
Ring Count 6
Rotatable Bond Count 13

Suppliers

No suppliers are currently stocking this item.