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Albomitomycin C

CAT: 1596-AR-M02087-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-M02087-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
111750-67-5
Synonyms
((1R,2S,8aR,9S,9aR) -7-amino-9a-methoxy-6-methyl-5,8-dioxo-1,2,3,5,8,8a,9,9a-octahydro-1,2,4a- (epinitrilo) pyrrolo[1,2-a]indol-9-yl) methylcarbamate
Molecular Formula
C15H18N4O5
Molecular Weight
334.33
API Name
Mitomycin

Chemical Information

Albomitomycin C
CAS Number111750-67-5
PubChem CID10404627
IUPAC Name[(1S,3S,4S,7R,8S,9R)-11-amino-7-methoxy-12-methyl-10,13-dioxo-2,6-diazapentacyclo[7.4.0.01,6.02,4.03,7]tridec-11-en-8-yl]methyl carbamate
Molecular FormulaC15H18N4O5
Molecular Weight334.33
XLogP-1.6
Topological Polar Surface Area128
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity765
SMILES
CC1=C(C(=O)[C@@H]2[C@H]([C@]3([C@@H]4[C@H]5N4[C@]2(C1=O)N3C5)OC)COC(=O)N)N
InChI
InChI=1S/C15H18N4O5/c1-5-9(16)10(20)8-6(4-24-13(17)22)15(23-2)11-7-3-18(15)14(8,12(5)21)19(7)11/h6-8,11H,3-4,16H2,1-2H3,(H2,17,22)/t6-,7+,8+,11+,14-,15-,19?/m1/s1
InChIKey
ZOVLGAUVYBEUSN-UFXSHCHASA-N
Chemical Structure
2D Structure
2D structure of Albomitomycin C
CAS: 111750-67-5
CID: 10404627
Formula: C15H18N4O5
MW: 334.33
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight334.33
XLogP3-1.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass334.12771969
Monoisotopic Mass334.12771969
Topological Polar Surface Area128 Ų
Heavy Atom Count24
Formal Charge0
Complexity765
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

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