Products for Research Use Only
RegisterLogin

Integerrimine

CAT: 0926-XI161635-01Size: 1 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-XI161635-01Size:1 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
480-79-5
Smiles
C/C=C/1\C[C@H] ([C@@] (C (=O) OCC2=CCN3[C@H]2[C@@H] (CC3) OC1=O) (C) O) C
Molecular Formula
C18H25NO5
Molecular Weight
335.39 g/mol
Controlled
No

Chemical Information

Integerrimine

Integerrimine is a macrolide.

CAS Number480-79-5
PubChem CID5281733
IUPAC Name(1R,4E,6R,7R,17R)-4-ethylidene-7-hydroxy-6,7-dimethyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Molecular FormulaC18H25NO5
Molecular Weight335.4
XLogP1.1
Topological Polar Surface Area76.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Heavy Atom Count24
Formal Charge0
Complexity611
SMILES
C/C=C/1\C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(C)O)C
InChI
InChI=1S/C18H25NO5/c1-4-12-9-11(2)18(3,22)17(21)23-10-13-5-7-19-8-6-14(15(13)19)24-16(12)20/h4-5,11,14-15,22H,6-10H2,1-3H3/b12-4+/t11-,14-,15-,18-/m1/s1
InChIKey
HKODIGSRFALUTA-IKZAEVNJSA-N
Chemical Structure
2D Structure
2D structure of Integerrimine
CAS: 480-79-5
CID: 5281733
Formula: C18H25NO5
MW: 335.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.4
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count0
Exact Mass335.17327290
Monoisotopic Mass335.17327290
Topological Polar Surface Area76.1 Ų
Heavy Atom Count24
Formal Charge0
Complexity611
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-122772(-) -Integerrimine
M31071-01Integerrimine
AR-I03714-01Integerrimine-d3
452398-01Integerrimine N-oxide
AR-I03715-01Integerrimine-d3 N-Oxide

Popular Products