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Ramoplanin

CAT: 1266-JH755661Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1266-JH755661Size:1 Each
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CAS Number
76168-82-6
UN Code
UN 3261
Other Statements
Xi
Stability
Stable under normal temperatures and pressures.
Molecular Formula
76168-82-6
Product Name Synonym
O-tolyl-amidophosphoric acid diphenyl ester
Physical Properties
Off-white to light yellow crystals
Hazardous Class
8
Safety Statements
S26-S37/39
Density
1.258g/cm3
Flash Point
224.3oC
RIDADR
UN 3261 8/PG 2
Melting Point
63oC

Chemical Information

Ramoplanin

Ramoplanin is a novel glycolipodepsipeptide antibiotic under development for the treatment of CDAD.

CAS Number76168-82-6
PubChem CID16132338
IUPAC Name2-[[(2R)-2-[[(2S)-2-[[2-[[2-[[(2S,3S)-2-[[2-[[(2R)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-2-[[(2R)-2-[[(2R,3S)-2-[[(2R)-5-amino-2-[[(2R)-2-[[4-amino-2-[[(2S)-4-amino-2-[[(2Z,4Z)-octa-2,4-dienoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]pentanoyl]amino]-3-hydroxybutanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]-3-hydroxybutanoyl]amino]-2-(4-hydroxycyclohexyl)acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-2-(3-chloro-4-hydroxycyclohexyl)acetic acid
Molecular FormulaC106H170ClN21O30
Molecular Weight2254.1
XLogP-4.8
Topological Polar Surface Area852
Hydrogen Bond Donor Count31
Hydrogen Bond Acceptor Count32
Rotatable Bond Count61
Heavy Atom Count158
Formal Charge0
Complexity4810
SMILES
CCC/C=C\C=C/C(=O)N[C@@H](CC(=O)N)C(=O)NC(CC(=O)N)C(=O)N[C@H](C1CCC(CC1)O)C(=O)N[C@H](CCCN)C(=O)N[C@H]([C@H](C)O)C(=O)N[C@H](C2CCC(CC2)O)C(=O)N[C@H](C3CCC(CC3)O)C(=O)N[C@@H]([C@H](C)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@H](CCCN)C(=O)NC(C5CCC(CC5)O)C(=O)N[C@@H]([C@H](C)O)C(=O)NC(C6CCC(CC6)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C)C(=O)NC(C7CCC(C(C7)Cl)O)C(=O)O
InChI
InChI=1S/C106H170ClN21O30/c1-8-9-10-11-15-22-80(140)114-75(50-78(110)138)96(147)118-76(51-79(111)139)97(148)124-86(60-25-36-66(133)37-26-60)102(153)117-72(21-17-46-109)92(143)120-83(56(6)130)100(151)126-89(63-31-42-69(136)43-32-63)105(156)127-88(62-29-40-68(135)41-30-62)104(155)121-82(55(5)129)99(150)119-74(48-58-18-13-12-14-19-58)95(146)116-71(20-16-45-108)93(144)123-87(61-27-38-67(134)39-28-61)103(154)122-84(57(7)131)101(152)125-85(59-23-34-65(132)35-24-59)98(149)112-52-81(141)115-73(47-53(2)3)94(145)113-54(4)91(142)128-90(106(157)158)64-33-44-77(137)70(107)49-64/h10-15,18-19,22,53-57,59-77,82-90,129-137H,8-9,16-17,20-21,23-52,108-109H2,1-7H3,(H2,110,138)(H2,111,139)(H,112,149)(H,113,145)(H,114,140)(H,115,141)(H,116,146)(H,117,153)(H,118,147)(H,119,150)(H,120,143)(H,121,155)(H,122,154)(H,123,144)(H,124,148)(H,125,152)(H,126,151)(H,127,156)(H,128,142)(H,157,158)/b11-10-,22-15-/t54-,55+,56+,57+,59?,60?,61?,62?,63?,64?,65?,66?,67?,68?,69?,70?,71-,72-,73+,74+,75+,76?,77?,82+,83-,84+,85?,86-,87?,88-,89-,90?/m1/s1
InChIKey
FSBZBQUUCNYWOK-YIOPJBSBSA-N
Chemical Structure
2D Structure
2D structure of Ramoplanin
CAS: 76168-82-6
CID: 16132338
Formula: C106H170ClN21O30
MW: 2254.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2254.1
XLogP3-4.8
Hydrogen Bond Donor Count31
Hydrogen Bond Acceptor Count32
Rotatable Bond Count61
Exact Mass2253.2144556
Monoisotopic Mass2252.2111008
Topological Polar Surface Area852 Ų
Heavy Atom Count158
Formal Charge0
Complexity4810
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count7
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA1059-50Ramoplanin
GDA98888-01Ramoplanin A2
TRC-R113035-100MGRamoplanin Acetate >85%

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