Current position:Home >Product >

sodium 2-[[(2R,3R,4R,5R,6S)-3-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[2-[[2-[[2-[[2-[[(2S)-1-[[2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethoxy

Systemtic Name:	sodium 2-[[(2R,3R,4R,5R,6S)-3-[(2R,3R,4R,5R,6R)-5-[(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[2-[[2-[[2-[[2-[[(2S)-1-[[2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-10-methoxy-3,5,12-tris(oxidanyl)-3-(2-oxidanylethanoyl)-6,11-bis(oxidanylidene)-2,4-dihydro-1H-tetracen-1-yl]oxy]-2-methyl-3-oxidanyl-oxan-4-yl]amino]-2-oxidanylidene-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethoxy
Openeye Name:	sodium 2-[[(2R,3R,4R,5R,6S)-3-[(2R,3R,4R,5R,6R)-6-[[2-[[2-[[2-[[2-[[(1S)-1-benzyl-2-[[2-[[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]tetrahydropyran-4-yl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]amino]-2-oxo-ethoxy]methyl]-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5,6-trihydroxy-tetra
CAS Name:	sodium 2-[[(2R,3R,4R,5R,6S)-3-[[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-[[2-[[2-[[2-[[2-[[(2S)-1-[[2-[[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxy-1-oxoethyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]-4-oxanyl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]methyl]-5-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-2-oxanyl]oxy]-4,5,6-trihydroxy-2-oxanyl]methoxy]acetate
IUPAC Name:	sodium 2-[[(2R,3R,4R,5R,6S)-3-[(2R,3R,4R,5R,6R)-3,4-dihydroxy-6-[[2-[[2-[[2-[[2-[[(2S)-1-[[2-[[(2S,3S,4S,6R)-3-hydroxy-2-methyl-6-[[(1S,3S)-3,5,12-trihydroxy-3-(2-hydroxyacetyl)-10-methoxy-6,11-dioxo-2,4-dihydro-1H-tetracen-1-yl]oxy]oxan-4-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethoxy]methyl]-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-4,5,6-trihydroxyoxan-2-yl]methoxy]acetate
Traditional Name:	sodium 2-[[(2R,3R,4R,5R,6S)-3-[(2R,3R,4R,5R,6R)-6-[[2-[[2-[[2-[[2-[[(1S)-1-benzyl-2-[[2-[[(2S,3S,4S,6R)-6-[[(1S,3S)-3-glycoloyl-3,5,12-trihydroxy-6,11-diketo-10-methoxy-2,4-dihydro-1H-tetracen-1-yl]oxy]-3-hydroxy-2-methyl-tetrahydropyran-4-yl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]amino]-2-keto-ethoxy]methyl]-3,4-dihydroxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl]oxy-tetrahydropyran-2-yl]oxy-4,5,6-trihydroxy-tetrahydrop
Formula:	C₆₆H₈₃N₆NaO₃₅
MolecularWeight:	1543.37419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(CC(O1)OC2CC(CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)NC(=O)CNC(=O)C(CC6=CC=CC=C6)NC(=O)CNC(=O)CNC(=O)CNC(=O)COCC7C(C(C(C(O7)OC8C(OC(C(C8O)O)O)COCC(=O)[O-])O)O)OC9C(C(C(C(O9)CO)O)O)O)O.[Na+]

Isomeric SMILES

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C(C4=C(C(=C23)O)C(=O)C5=C(C4=O)C=CC=C5OC)O)(C(=O)CO)O)NC(=O)CNC(=O)[C@H](CC6=CC=CC=C6)NC(=O)CNC(=O)CNC(=O)CNC(=O)COC[C@@H]7[C@@H]([C@@H]([C@H]([C@H](O7)O[C@H]8[C@H](O[C@@H]([C@@H]([C@H]8O)O)O)COCC(=O)[O-])O)O)O[C@@H]9[C@@H]([C@H]([C@@H]([C@H](O9)CO)O)O)O)O.[Na+]

InChI

InChI=1S/C66H84N6O35.Na/c1-25-48(83)29(12-43(101-25)102-32-14-66(97,36(75)20-74)13-28-45(32)53(88)47-46(50(28)85)49(84)27-9-6-10-31(98-2)44(27)52(47)87)71-40(79)18-70-62(95)30(11-26-7-4-3-5-8-26)72-39(78)17-68-37(76)15-67-38(77)16-69-41(80)23-99-22-35-61(107-64-58(93)54(89)51(86)33(19-73)104-64)56(91)59(94)65(105-35)106-60-34(21-100-24-42(81)82)103-63(96)57(92)55(60)90;/h3-10,25,29-30,32-35,43,48,51,54-61,63-65,73-74,83,85-86,88-94,96-97H,11-24H2,1-2H3,(H,67,77)(H,68,76)(H,69,80)(H,70,95)(H,71,79)(H,72,78)(H,81,82);/q;+1/p-1/t25-,29-,30-,32-,33+,34+,35+,43-,48+,51+,54-,55+,56+,57+,58+,59+,60-,61-,63-,64+,65+,66-;/m0./s1

Other Product