Products for Research Use Only
RegisterLogin

LC756

CAT: 0127-OR1029992-04Size: 5 gDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0127-OR1029992-04Size:5 g
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
223572-88-1
Synonyms
[6-[4-[4- (4-prop-2-enoyloxybutoxycarbonyloxy) benzoyl]oxybenzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[4- (4-prop-2-enoyloxybutoxycarbonyloxy) benzoyl]oxybenzoate
MDL Number
MFCD31560775
Purity
90%
Smiles
C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3COC4C3OCC4OC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)OC(=O)OCCCCOC(=O)C=C
Storage Conditions
Store at 2-8°C

Chemical Information

[6-[4-[4-(4-Prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoate

See other relationships...

CAS Number223572-88-1
PubChem CID22976613
IUPAC Name[6-[4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoate
Molecular FormulaC50H46O20
Molecular Weight966.9
XLogP8.4
Topological Polar Surface Area247
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count20
Rotatable Bond Count32
Heavy Atom Count70
Formal Charge0
Complexity1660
SMILES
C=CC(=O)OCCCCOC(=O)OC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)OC3COC4C3OCC4OC(=O)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)OC(=O)OCCCCOC(=O)C=C
InChI
InChI=1S/C50H46O20/c1-3-41(51)59-25-5-7-27-61-49(57)67-37-21-13-31(14-22-37)45(53)65-35-17-9-33(10-18-35)47(55)69-39-29-63-44-40(30-64-43(39)44)70-48(56)34-11-19-36(20-12-34)66-46(54)32-15-23-38(24-16-32)68-50(58)62-28-8-6-26-60-42(52)4-2/h3-4,9-24,39-40,43-44H,1-2,5-8,25-30H2
InChIKey
CSNCPNFITVRIBQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of [6-[4-[4-(4-Prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoyl]oxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] 4-[4-(4-prop-2-enoyloxybutoxycarbonyloxy)benzoyl]oxybenzoate
CAS: 223572-88-1
CID: 22976613
Formula: C50H46O20
MW: 966.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight966.9
XLogP38.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count20
Rotatable Bond Count32
Exact Mass966.25824385
Monoisotopic Mass966.25824385
Topological Polar Surface Area247 Ų
Heavy Atom Count70
Formal Charge0
Complexity1660
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count4
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Popular Products