β-Alaninamide, N-[4-[3,6-bis(ethylamino)-2,7-dimethylxanthylium-9-yl]-3-carboxybenzoyl]-2-sulfo-β-alanyl-2-sulfo-β-alanyl-N-[6-oxo-6-[[6-oxo-6-[[6-oxo-6-[[3-[1,2,3,4-tetrahydro-2,4-dioxo-1-[(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]-5-pyrimidinyl]-2-propyn-1-yl]amino]hexyl]amino]hexyl]amino]hexyl]-2-sulfo-, inner salt (ACI),623945-35-7-Amadis Chemical

Home > Product Catalog > Life science > Nucleosides > β-Alaninamide, N-[4-[3,6-bis(ethylamino)-2,7-dimethylxanthylium-9-yl]-3-carboxybenzoyl]-2-sulfo-β-alanyl-2-sulfo-β-alanyl-N-[6-oxo-6-[[6-oxo-6-[[6-oxo-6-[[3-[1,2,3,4-tetrahydro-2,4-dioxo-1-[(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]-5-pyrimidinyl]-2-propyn-1-yl]amino]hexyl]amino]hexyl]amino]hexyl]-2-sulfo-, inner salt (ACI)

[CAS No.623945-35-7] A1254831 β-Alaninamide, N-[4-[3,6-bis(ethylamino)-2,7-dimethylxanthylium-9-yl]-3-carboxybenzoyl]-2-sulfo-β-alanyl-2-sulfo-β-alanyl-N-[6-oxo-6-[[6-oxo-6-[[6-oxo-6-[[3-[1,2,3,4-tetrahydro-2,4-dioxo-1-[(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]-5-pyrimidinyl]-2-propyn-1-yl]amino]hexyl]amino]hexyl]amino]hexyl]-2-sulfo-, inner salt (ACI) 97%

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Quality Control of [623945-35-7]

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Product Details [623945-35-7]

CAS Number: 623945-35-7

MDL No.:

Catalog Number: A1254831

EINECS:

Molecular Formula: C₆₆H₉₀N₁₁O₃₂P₃S₃

Molecular Weight: 1,738.59

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-[4-[3,6-bis(ethylamino)-2,7-dimethylxanthylium-9-yl]-3-carboxybenzoyl]-2-sulfo-β-alanyl-2-sulfo-β-alanyl-N-[6-oxo-6-[[6-oxo-6-[[6-oxo-6-[[3-[1,2,3,4-tetrahydro-2,4-dioxo-1-[(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]-5-pyrimidinyl]-2-propyn-1-yl]amino]hexyl]amino]hexyl]amino]hexyl]-2-sulfo-, inner salt (ACI)

Smiles: C([O-])(=O)C1=C(C=2C3=C([O+]=C4C2C=C(C)C(NCC)=C4)C=C(NCC)C(C)=C3)C=CC(C(NCC(C(NCC(C(NCC(C(NCCCCCC(NCCCCCC(NCCCCCC(NCC#CC5=CN(C(=O)NC5=O)[C@@H]6O[C@H](COP(OP(OP(=O)(O)O)(=O)O)(=O)O)CC6)=O)=O)=O)=O)S(=O)(=O)O)=O)S(=O)(=O)O)=O)S(=O)(=O)O)=O)=C1

InchiKey: RLPMBDBAPMUUFC-JCYKGJILSA-N

Inchi: InChI=1S/C66H90N11O32P3S3/c1-5-67-48-32-50-46(29-39(48)3)59(47-30-40(4)49(68-6-2)33-51(47)107-50)44-23-21-41(31-45(44)65(86)87)60(81)73-34-53(114(99,100)101)63(84)75-36-54(115(102,103)104)64(85)74-35-52(113(96,97)98)62(83)72-27-15-9-12-19-56(79)70-25-13-7-10-18-55(78)69-26-14-8-11-20-57(80)71-28-16-17-42-37-77(66(88)76-61(42)82)58-24-22-43(106-58)38-105-111(92,93)109-112(94,95)108-110(89,90)91/h21,23,29-33,37,43,52-54,58,67-68H,5-15,18-20,22,24-28,34-36,38H2,1-4H3,(H15-,69,70,71,72,73,74,75,76,78,79,80,81,82,83,84,85,86,87,88,89,90,91,92,93,94,95,96,97,98,99,100,101,102,103,104)/t43-,52?,53?,54?,58+/m0/s1

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