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2-[(4aR,6S,7R,8R,8aS)-6-(4-methoxyphenoxy)-2-phenyl-8-(prop-2-en-1-yloxy)-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione

2-[(4aR,6S,7R,8R,8aS)-6-(4-methoxyphenoxy)-2-phenyl-8-(prop-2-en-1-yloxy)-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]isoindole-1,3-dione

CAS: 889453-84-3

Formula: C31H29NO8

SMILES: [H][C@@]12COC(O[C@@]1([H])[C@H](OCC=C)[C@]([H])([C@H](OC1=CC=C(OC)C=C1)O2)N1C(=O)C2=CC=CC=C2C1=O)C1=CC=CC=C1

IUPAC: 2-[(4aR,6S,7R,8R,8aS)-6-(4-methoxyphenoxy)-2-phenyl-8-(prop-2-en-1-yloxy)-hexahydro-2H-pyrano[3,2-d][1,3]dioxin-7-yl]-2,3-dihydro-1H-isoindole-1,3-dione

InChI: InChI=1S/C31H29NO8/c1-3-17-36-27-25(32-28(33)22-11-7-8-12-23(22)29(32)34)31(38-21-15-13-20(35-2)14-16-21)39-24-18-37-30(40-26(24)27)19-9-5-4-6-10-19/h3-16,24-27,30-31H,1,17-18H2,2H3/t24-,25-,26+,27+,30?,31+/m0/s1

Composition: C (68.50%), H (5.38%), N (2.58%), O (23.55%)

Molar Mass: 543.572

Atom Count: 69

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 6
Exact Mass 543.189316898
Formal Charge 0
FSP3 0.29
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 8
Hydrogen Bond Donor Count 0
InChIKey KDSWOYVINHSEOI-YLVCXTSJSA-N
Lipinski's Rule of Five
Molar Refractivity 143.39
Topological Polar Surface Area 92.76
Polarizability 56.02
Ring Count 6
Rotatable Bond Count 8

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