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FR900359

CAT: 0926-HEA53018-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0926-HEA53018-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
107530-18-7
Smiles
CCN1C2=C (C=C1C (=O) O) C (=CC=C2) OCC
Molecular Formula
C49H75N7O15
Molecular Weight
1,002.20 g/mol
Controlled
No

Chemical Information

Ubo-Qic

FR900359 is a cyclodepsipeptide.

CAS Number107530-18-7
PubChem CID14101198
IUPAC Name[(1R)-1-[(3S,6S,9S,12S,18R,21S,22R)-21-acetamido-18-benzyl-3-[(1R)-1-methoxyethyl]-4,9,10,12,16-pentamethyl-15-methylidene-2,5,8,11,14,17,20-heptaoxo-22-propan-2-yl-1,19-dioxa-4,7,10,13,16-pentazacyclodocos-6-yl]-2-methylpropyl] (2S,3R)-3-hydroxy-4-methyl-2-(propanoylamino)pentanoate
Molecular FormulaC49H75N7O15
Molecular Weight1002.2
XLogP3.5
Topological Polar Surface Area286
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count15
Heavy Atom Count71
Formal Charge0
Complexity1940
SMILES
CCC(=O)N[C@@H]([C@@H](C(C)C)O)C(=O)O[C@@H]([C@H]1C(=O)N([C@H](C(=O)O[C@@H]([C@@H](C(=O)O[C@@H](C(=O)N(C(=C)C(=O)N[C@H](C(=O)N([C@H](C(=O)N1)C)C)C)C)CC2=CC=CC=C2)NC(=O)C)C(C)C)[C@@H](C)OC)C)C(C)C
InChI
InChI=1S/C49H75N7O15/c1-17-34(58)52-35(39(59)24(2)3)47(65)70-40(25(4)5)36-46(64)56(15)38(30(11)68-16)49(67)71-41(26(6)7)37(51-31(12)57)48(66)69-33(23-32-21-19-18-20-22-32)45(63)55(14)28(9)42(60)50-27(8)44(62)54(13)29(10)43(61)53-36/h18-22,24-27,29-30,33,35-41,59H,9,17,23H2,1-8,10-16H3,(H,50,60)(H,51,57)(H,52,58)(H,53,61)/t27-,29-,30+,33+,35-,36-,37-,38-,39+,40+,41+/m0/s1
InChIKey
IMXKHFILKMPFGB-ZWYWTTNJSA-N
Chemical Structure
2D Structure
2D structure of Ubo-Qic
CAS: 107530-18-7
CID: 14101198
Formula: C49H75N7O15
MW: 1002.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1002.2
XLogP33.5
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count15
Exact Mass1001.53211471
Monoisotopic Mass1001.53211471
Topological Polar Surface Area286 Ų
Heavy Atom Count71
Formal Charge0
Complexity1940
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA3248-1FR900359
A24358-10FR900359 10mg
A24358-1FR900359 1mg
A24358-50FR900359 50mg
A24358-5FR900359 5mg

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