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Phalloidin-TRITC 0.01mg

CAT: 0628-A22811-0.01Size: 0.01 mgDry Ice: NoHazardous: No
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CAT#:0628-A22811-0.01Size:0.01 mg
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CAS Number
915013-10-4

Chemical Information

Phalloidin-TRITC
CAS Number915013-10-4
PubChem CID152743454
IUPAC Name6-[3,6-bis(dimethylamino)xanthen-9-ylidene]-3-[[(2R)-2-hydroxy-3-[(1S,14R,18S,20S,23S,28S,31S,34R)-18-hydroxy-34-[(1S)-1-hydroxyethyl]-23,31-dimethyl-15,21,24,26,29,32,35-heptaoxo-12-thia-10,16,22,25,27,30,33,36-octazapentacyclo[12.11.11.03,11.04,9.016,20]hexatriaconta-3(11),4,6,8-tetraen-28-yl]-2-methylpropyl]carbamothioylimino]cyclohexa-1,4-diene-1-carboxylic acid
Molecular FormulaC60H70N12O13S2
Molecular Weight1231.4
XLogP2.3
Topological Polar Surface Area406
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Heavy Atom Count87
Formal Charge0
Complexity2780
SMILES
C[C@H]1C(=O)N[C@H]2CC3=C(NC4=CC=CC=C34)SC[C@@H](C(=O)N5C[C@H](C[C@H]5C(=O)N1)O)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC2=O)C[C@](C)(CNC(=S)N=C6C=CC(=C7C8=C(C=C(C=C8)N(C)C)OC9=C7C=CC(=C9)N(C)C)C(=C6)C(=O)O)O)C)[C@H](C)O
InChI
InChI=1S/C60H70N12O13S2/c1-28-50(75)65-42-23-39-35-11-9-10-12-41(35)68-56(39)87-26-44(57(81)72-25-34(74)22-45(72)54(79)63-28)67-55(80)49(30(3)73)69-51(76)29(2)62-53(78)43(66-52(42)77)24-60(4,84)27-61-59(86)64-31-13-16-36(40(19-31)58(82)83)48-37-17-14-32(70(5)6)20-46(37)85-47-21-33(71(7)8)15-18-38(47)48/h9-21,28-30,34,42-45,49,68,73-74,84H,22-27H2,1-8H3,(H,61,86)(H,62,78)(H,63,79)(H,65,75)(H,66,77)(H,67,80)(H,69,76)(H,82,83)/t28-,29-,30-,34-,42-,43-,44-,45-,49+,60+/m0/s1
InChIKey
VXNOAAMNRGBZOQ-IZZNSDNCSA-N
Chemical Structure
2D Structure
2D structure of Phalloidin-TRITC
CAS: 915013-10-4
CID: 152743454
Formula: C60H70N12O13S2
MW: 1231.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1231.4
XLogP32.3
Hydrogen Bond Donor Count12
Hydrogen Bond Acceptor Count17
Rotatable Bond Count8
Exact Mass1230.46267268
Monoisotopic Mass1230.46267268
Topological Polar Surface Area406 Ų
Heavy Atom Count87
Formal Charge0
Complexity2780
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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