Basic information
- CAS
19426-70-1- Standard SMILES
C=CC1=C(C)C2=NC1=CC1=NC(=Cc3[n-]c4c(c3C)=C([O-])C(C(=O)OC)C=4C3=NC(=C2)C(C)C3CCC(=O)[O-])C(CC)=C1C.[Cu+2].[H+]- InChIKey
YHWYWUOREIAFEI-UHFFFAOYSA-L- Molecular formula
- C35H34CuN4O5
- Average molar mass
- 654.2 g/mol
- Monoisotopic mass
- 653.182517
Names & identifiers
- Preferred name
- Cuprate(1-), ((3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-kappaN23,kappaN24,kappaN25,kappaN26)-, hydrogen (1:1), (SP-4-2)-
- IUPAC
- copper;3-(16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl)propanoate;hydron
- English name
- hydrogen [3S-(3alpha,4beta,21beta)]-[14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-9-vinylphorbine-3-propionato(3-)-N23,N24,N25,N26]cuprate(1-)
- Molecular formula
- C35H34CuN4O5
- Molecular weight
- 654.23
Names & synonyms
Cuprate(1-), ((3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-kappaN23,kappaN24,kappaN25,kappaN26)-, hydrogen (1:1), (SP-4-2)-RefChem:579552Cuprate(1-), [(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, hydrogen (1:1), (SP-4-2)-EINECS 243-045-319426-70-1Copper;3-(16-ethenyl-11-ethyl-3-methoxycarbonyl-12,17,21,26-tetramethyl-4-oxido-23,24,25-triaza-7-azanidahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),4,8(26),9,11,13(25),14,16,18(24),19-undecaen-22-yl)propanoate;hydronCu(ii) pheophorbide aCuprate(1-), ((3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-kappaN23,kappaN24,kappaN25,kappaN26)-, hydrogen, (SP-4-2)-Cuprate(1-), [(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, hydrogen, (SP-4-2)-
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 1,810
Physicochemical properties
- EPA Substance Registry System
- 1 · Cuprate(1-), [(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, hydrogen, (SP-4-2)- (19426-70-1)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationCuprate(1-), [(3S,4S,21R)-9-ethenyl-14-ethyl-21-(methoxycarbonyl)-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato(3-)-.kappa.N23,.kappa.N24,.kappa.N25,.kappa.N26]-, hydrogen (1:1), (SP-4-2)-: INACTIVE
Suppliers1 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Related reactions
0 records
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Compound notes
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