β-Alaninamide, N-[3-carboxy-4-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j′]diquinolizin-18-ium-9-yl)benzoyl]-2-sulfo-β-alanyl-2-sulfo-β-alanyl-N-[6-[[6-[[3-[2-amino-4,7-dihydro-4-oxo-7-[(2R,5S)-tetrahydro-5-(3,5,7,7-tetrahydroxy-3,5,7-trioxido-2,4,6-trioxa-3,5,7-triphosphahept-1-yl)-2-furanyl]-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propynyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-sulfo-, inner salt (9CI),623945-37-9-Amadis Chemical

Home > Product Catalog > Life science > Nucleosides > β-Alaninamide, N-[3-carboxy-4-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j′]diquinolizin-18-ium-9-yl)benzoyl]-2-sulfo-β-alanyl-2-sulfo-β-alanyl-N-[6-[[6-[[3-[2-amino-4,7-dihydro-4-oxo-7-[(2R,5S)-tetrahydro-5-(3,5,7,7-tetrahydroxy-3,5,7-trioxido-2,4,6-trioxa-3,5,7-triphosphahept-1-yl)-2-furanyl]-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propynyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-sulfo-, inner salt (9CI)

[CAS No.623945-37-9] A1254829 β-Alaninamide, N-[3-carboxy-4-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j′]diquinolizin-18-ium-9-yl)benzoyl]-2-sulfo-β-alanyl-2-sulfo-β-alanyl-N-[6-[[6-[[3-[2-amino-4,7-dihydro-4-oxo-7-[(2R,5S)-tetrahydro-5-(3,5,7,7-tetrahydroxy-3,5,7-trioxido-2,4,6-trioxa-3,5,7-triphosphahept-1-yl)-2-furanyl]-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propynyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-sulfo-, inner salt (9CI) 97%

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Product Details [623945-37-9]

CAS Number: 623945-37-9

MDL No.:

Catalog Number: A1254829

EINECS:

Molecular Formula: C₆₈H₈₅N₁₂O₃₀P₃S₃

Molecular Weight: 1,739.58

Boiling point:

Melting point:

Flash point:

Density:

Appearance:

Storage: Store in 2-8°C for long term (months)

Chiral Purity:

Optical Rotation:

Refractivity:

Pubchem ID:

Synonyms: β-Alaninamide, N-[3-carboxy-4-(2,3,6,7,12,13,16,17-octahydro-1H,5H,11H,15H-xantheno[2,3,4-ij:5,6,7-i'j′]diquinolizin-18-ium-9-yl)benzoyl]-2-sulfo-β-alanyl-2-sulfo-β-alanyl-N-[6-[[6-[[3-[2-amino-4,7-dihydro-4-oxo-7-[(2R,5S)-tetrahydro-5-(3,5,7,7-tetrahydroxy-3,5,7-trioxido-2,4,6-trioxa-3,5,7-triphosphahept-1-yl)-2-furanyl]-1H-pyrrolo[2,3-d]pyrimidin-5-yl]-2-propynyl]amino]-6-oxohexyl]amino]-6-oxohexyl]-2-sulfo-, inner salt (9CI)

Smiles: C([O-])(=O)C1=C(C=2C=3C(=C4C5=C(C3)CCCN5CCC4)[O+]=C6C2C=C7C8=C6CCCN8CCC7)C=CC(C(NCC(C(NCC(C(NCC(C(NCCCCCC(NCCCCCC(NCC#CC=9C%10=C(N(C9)[C@@H]%11O[C@H](COP(OP(OP(=O)(O)O)(=O)O)(=O)O)CC%11)NC(N)=NC%10=O)=O)=O)=O)S(=O)(=O)O)=O)S(=O)(=O)O)=O)S(=O)(=O)O)=O)=C1

InchiKey: RRYGSMGSDWJYSW-KGLSWRHRSA-N

Inchi: InChI=1S/C68H85N12O30P3S3/c69-68-76-61-55(66(87)77-68)41(36-80(61)54-22-20-42(107-54)37-106-112(93,94)110-113(95,96)109-111(90,91)92)12-7-25-71-53(82)18-3-1-5-23-70-52(81)17-4-2-6-24-72-63(84)49(114(97,98)99)34-74-65(86)51(116(103,104)105)35-75-64(85)50(115(100,101)102)33-73-62(83)40-19-21-43(46(32-40)67(88)89)56-47-30-38-13-8-26-78-28-10-15-44(57(38)78)59(47)108-60-45-16-11-29-79-27-9-14-39(58(45)79)31-48(56)60/h19,21,30-32,36,42,49-51,54H,1-6,8-11,13-18,20,22-29,33-35,37H2,(H16-,69,70,71,72,73,74,75,76,77,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104,105)/t42-,49?,50?,51?,54+/m0/s1

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