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Retrorsine

CAT: 1299-RM-R051800-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R051800-02Size:25 mg
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CAS Number
480-54-6
Synonyms
(5S,6S,9a1R,14aR, Z) -3-ethylidene-6-hydroxy-6- (hydroxymethyl) -5-methyl-3,4,5,6,11,13,14,14a-octahydro-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7 (9H,9a1H) -dione
Molecular Formula
C18H25NO6
Molecular Weight
351.39
Target Alternative Name
Retrorsine
Product Name Synonym
(5S,6S,9a1R,14aR, Z) -3-ethylidene-6-hydroxy-6- (hydroxymethyl) -5-methyl-3,4,5,6,11,13,14,14a-octahydro-[1,6]dioxacyclododecino[2,3,4-gh]pyrrolizine-2,7 (9H,9a1H) -dione

Chemical Information

Retrorsine

Retrorsine is a macrolide.

CAS Number480-54-6
PubChem CID5281743
IUPAC Name(1R,4Z,6R,7S,17R)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6-methyl-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadec-11-ene-3,8-dione
Molecular FormulaC18H25NO6
Molecular Weight351.4
XLogP0.6
Topological Polar Surface Area96.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Heavy Atom Count25
Formal Charge0
Complexity627
SMILES
C/C=C\1/C[C@H]([C@@](C(=O)OCC2=CCN3[C@H]2[C@@H](CC3)OC1=O)(CO)O)C
InChI
InChI=1S/C18H25NO6/c1-3-12-8-11(2)18(23,10-20)17(22)24-9-13-4-6-19-7-5-14(15(13)19)25-16(12)21/h3-4,11,14-15,20,23H,5-10H2,1-2H3/b12-3-/t11-,14-,15-,18-/m1/s1
InChIKey
BCJMNZRQJAVDLD-CQRYIUNCSA-N
Chemical Structure
2D Structure
2D structure of Retrorsine
CAS: 480-54-6
CID: 5281743
Formula: C18H25NO6
MW: 351.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight351.4
XLogP30.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count1
Exact Mass351.16818752
Monoisotopic Mass351.16818752
Topological Polar Surface Area96.3 Ų
Heavy Atom Count25
Formal Charge0
Complexity627
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
TN2147-01Retrorsine
HY-N6638RRetrorsine (Standard)
bs-71160RRetrorsine antibody
R279002Retrorsine-D4
464647-01Retrorsine discontinued
AR-R10778-01Retrorsine-d3
464648-01Retrorsine N-Oxide

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