Ac 2770
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Product Description
Product
Ac 2770
CAS
10176-39-3
Formula
C46H64O19
Synonym
Gitoformatum; AC 2770; Card-20(22)-enolide, 3-((O-2,6-dideoxy-3,4-di-O-formyl-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-3-O-formyl-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-formyl-beta-D-ribo-hexopyranosyl)oxy)-16-(formyloxy)-14-hydroxy-, (3-beta,5-beta,16-beta)-; EINECS 233-450-3; Formiloxin; Formiloxine; Gitoformate; Gitoformato; Gitoformato [INN-Spanish]; Gitoformato [Spanish]; Gitoformatum [INN-Latin]; Gitoxin 3',3'',3''',4''',16-pentaformate; Gitoxin 3',3',3''',4''',16-pentaformate; Gitoxin, pentaformate; Pentaformylgitoxin; UNII-B69U29O7J9; (3beta,5beta,16beta)-3-((O-2,6-Dideoxy-3,4-di-O-formyl-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-3-O-formyl-beta-D-ribo-hexanopyranosyl-(1-4)-2,6-dide oxy-3-O-formyl-beta-D-ribo-hexanopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide
Typical Product Specifications
Molecular weight
920.99
SMILES
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC=O)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC=O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(C[C@@H]([C@@H]7C8=CC(=O)OC8)OC=O)O)C)C)C)C)OC=O)OC=O
InChI
DOMHWKQEPDYUQX-LJAQBGIBSA-N
InChIKey
1S/C46H64O19/c1-24-41(59-23-51)32(55-19-47)14-38(60-24)64-43-26(3)62-39(16-34(43)57-21-49)65-42-25(2)61-37(15-33(42)56-20-48)63-29-8-10-44(4)28(13-29)6-7-31-30(44)9-11-45(5)40(27-12-36(52)54-18-27)35(58-22-50)17-46(31,45)53/h12,19-26,28-35,37-43,53H,
Atmospheric OH Rate Constant
2.15E-10 cm3/molecule-sec
log P (octanol-water)
3.16
Henry's Law Constant
2.62E-32 atm-m3/mole
Vapor Pressure
2.02E-27 mm Hg
Water solubility
0.959 mg/L
Class
Ac 2770
Product Description
Product
Ac 2770
CAS
10176-39-3
Formula
C46H64O19
Synonym
Gitoformatum; AC 2770; Card-20(22)-enolide, 3-((O-2,6-dideoxy-3,4-di-O-formyl-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-3-O-formyl-beta-D-ribo-hexopyranosyl-(1-4)-2,6-dideoxy-3-O-formyl-beta-D-ribo-hexopyranosyl)oxy)-16-(formyloxy)-14-hydroxy-, (3-beta,5-beta,16-beta)-; EINECS 233-450-3; Formiloxin; Formiloxine; Gitoformate; Gitoformato; Gitoformato [INN-Spanish]; Gitoformato [Spanish]; Gitoformatum [INN-Latin]; Gitoxin 3',3'',3''',4''',16-pentaformate; Gitoxin 3',3',3''',4''',16-pentaformate; Gitoxin, pentaformate; Pentaformylgitoxin; UNII-B69U29O7J9; (3beta,5beta,16beta)-3-((O-2,6-Dideoxy-3,4-di-O-formyl-beta-D-ribo-hexopyranosyl-(1-4)-O-2,6-dideoxy-3-O-formyl-beta-D-ribo-hexanopyranosyl-(1-4)-2,6-dide oxy-3-O-formyl-beta-D-ribo-hexanopyranosyl)oxy)-16-(formyloxy)-14-hydroxycard-20(22)-enolide
Typical Product Specifications
Molecular weight
920.99
SMILES
C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2OC=O)O[C@@H]3[C@H](O[C@H](C[C@@H]3OC=O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(C[C@@H]([C@@H]7C8=CC(=O)OC8)OC=O)O)C)C)C)C)OC=O)OC=O
InChI
DOMHWKQEPDYUQX-LJAQBGIBSA-N
InChIKey
1S/C46H64O19/c1-24-41(59-23-51)32(55-19-47)14-38(60-24)64-43-26(3)62-39(16-34(43)57-21-49)65-42-25(2)61-37(15-33(42)56-20-48)63-29-8-10-44(4)28(13-29)6-7-31-30(44)9-11-45(5)40(27-12-36(52)54-18-27)35(58-22-50)17-46(31,45)53/h12,19-26,28-35,37-43,53H,
Atmospheric OH Rate Constant
2.15E-10 cm3/molecule-sec
log P (octanol-water)
3.16
Henry's Law Constant
2.62E-32 atm-m3/mole
Vapor Pressure
2.02E-27 mm Hg
Water solubility
0.959 mg/L
Class
