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Pactamycin

CAT: 1596-AR-P30123-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-P30123-02Size:25 Units
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CAS Number
23668-11-3
Molecular Formula
C28H38N4O8
Molecular Weight
558.63
API Name
Pactamycin

Chemical Information

Pactamycin

Antibiotic produced by Streptomyces pactum used as an antineoplastic agent. It is also used as a tool in biochemistry because it inhibits certain steps in protein synthesis.

CAS Number23668-11-3
PubChem CID5289124
IUPAC Name[(1S,2R,3R,4S,5S)-5-(3-acetylanilino)-4-amino-3-(dimethylcarbamoylamino)-1,2-dihydroxy-3-[(1S)-1-hydroxyethyl]-2-methylcyclopentyl]methyl 2-hydroxy-6-methylbenzoate
Molecular FormulaC28H38N4O8
Molecular Weight558.6
XLogP0.9
Topological Polar Surface Area195
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count40
Formal Charge0
Complexity951
SMILES
CC1=C(C(=CC=C1)O)C(=O)OC[C@]2([C@H]([C@@H]([C@]([C@@]2(C)O)([C@H](C)O)NC(=O)N(C)C)N)NC3=CC=CC(=C3)C(=O)C)O
InChI
InChI=1S/C28H38N4O8/c1-15-9-7-12-20(35)21(15)24(36)40-14-27(39)23(30-19-11-8-10-18(13-19)16(2)33)22(29)28(17(3)34,26(27,4)38)31-25(37)32(5)6/h7-13,17,22-23,30,34-35,38-39H,14,29H2,1-6H3,(H,31,37)/t17-,22-,23-,26-,27+,28-/m0/s1
InChIKey
WVIUOSJLUCTGFK-JUJPXXQGSA-N
Chemical Structure
2D Structure
2D structure of Pactamycin
CAS: 23668-11-3
CID: 5289124
Formula: C28H38N4O8
MW: 558.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight558.6
XLogP30.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass558.26896418
Monoisotopic Mass558.26896418
Topological Polar Surface Area195 Ų
Heavy Atom Count40
Formal Charge0
Complexity951
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
P150-0.5MGPactamycin

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