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Mifamurtide

CAT: 0926-FM36618-05Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-FM36618-05Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
83461-56-7
MDL Number
MFCD09954133
Smiles
CCCCCCCCCCCCCCCC (=O) OCC (COP (=O) (O) OCCNC (=O) C (C) NC (=O) CCC (C (=O) N) NC (=O) C (C) NC (=O) C (C) OC1C (C (OC (C1O) CO) O) NC (=O) C) OC (=O) CCCCCCCCCCCCCCC
Molecular Formula
C59H109N6O19P
Molecular Weight
1,237.5 g/mol
Controlled
No

Chemical Information

Mtp-PE
CAS Number83461-56-7
PubChem CID76957626
IUPAC Name[(2R)-3-[2-[[(2S)-2-[[(4R)-4-[[(2S)-2-[[(2R)-2-[(2R,3R,4R,5R)-2-acetamido-4,5,6-trihydroxy-1-oxohexan-3-yl]oxypropanoyl]amino]propanoyl]amino]-5-amino-5-oxopentanoyl]amino]propanoyl]amino]ethoxy-hydroxyphosphoryl]oxy-2-hexadecanoyloxypropyl] hexadecanoate
Molecular FormulaC59H109N6O19P
Molecular Weight1237.5
XLogP8.2
Topological Polar Surface Area384
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count19
Rotatable Bond Count58
Heavy Atom Count85
Formal Charge0
Complexity1940
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC(=O)[C@H](C)NC(=O)CC[C@H](C(=O)N)NC(=O)[C@H](C)NC(=O)[C@@H](C)O[C@H]([C@H](C=O)NC(=O)C)[C@@H]([C@@H](CO)O)O)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C59H109N6O19P/c1-7-9-11-13-15-17-19-21-23-25-27-29-31-33-52(71)80-41-47(84-53(72)34-32-30-28-26-24-22-20-18-16-14-12-10-8-2)42-82-85(78,79)81-38-37-61-57(75)43(3)62-51(70)36-35-48(56(60)74)65-58(76)44(4)63-59(77)45(5)83-55(54(73)50(69)40-67)49(39-66)64-46(6)68/h39,43-45,47-50,54-55,67,69,73H,7-38,40-42H2,1-6H3,(H2,60,74)(H,61,75)(H,62,70)(H,63,77)(H,64,68)(H,65,76)(H,78,79)/t43-,44-,45+,47+,48+,49-,50+,54+,55+/m0/s1
InChIKey
ZVLWUMPAHCEZAW-KRNLDFAISA-N
Chemical Structure
2D Structure
2D structure of Mtp-PE
CAS: 83461-56-7
CID: 76957626
Formula: C59H109N6O19P
MW: 1237.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1237.5
XLogP38.2
Hydrogen Bond Donor Count10
Hydrogen Bond Acceptor Count19
Rotatable Bond Count58
Exact Mass1236.74851227
Monoisotopic Mass1236.74851227
Topological Polar Surface Area384 Ų
Heavy Atom Count85
Formal Charge0
Complexity1940
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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