Cas no 121053-11-0 (Coconut oil, polymer with benzoic acid, glycerol, pentaerythritol and phthalic anhydride)
121053-11-0 structure
Product Name:Coconut oil, polymer with benzoic acid, glycerol, pentaerythritol and phthalic anhydride
CAS No:121053-11-0
MF:C21H28N7O14P2
MW:664.433046340942
CID:226945
PubChem ID:5893
Update Time:2025-04-19
Coconut oil, polymer with benzoic acid, glycerol, pentaerythritol and phthalic anhydride Chemical and Physical Properties
Names and Identifiers
-
- Coconut oil, polymer with benzoic acid, glycerol, pentaerythritol and phthalic anhydride
- bmse000053
- D00002
- Spectrum_000973
- KBioSS_001453
- KBio2_001453
- SR-05000001677-3
- TXE
- [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonylpyridin-1-ium-1-yl)-4-[[5-[4-cyano-2-[(~{E})-hydroxyiminomethyl]phenoxy]-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-1-yl]oxy]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
- BSPBio_000722
- IDI1_000189
- Nicotinamide-Adenine-Dinucleotide
- SCHEMBL14478781
- coenzyme I
- Enzopride
- C00003
- Spectrum5_001291
- BRN 3584133
- 151411-04-0
- NAD cation
- Spectrum3_000511
- PD062453
- nicotinamide adenine dinucleotide
- Nicotinamide adenine dinucleotide (NAD+)
- KBio3_001561
- BRD-A11132253-001-01-7
- 53-84-9
- NAD(+)
- Nadida [INN-Spanish]
- beta-nicotinamide adenine dinucleotide
- [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate
- BAWFJGJZGIEFAR-NNYOXOHSSA-O
- BPBio1_000796
- KBio2_006589
- NINDS_000189
- DivK1c_000189
- KBio2_004021
- NAD
- 65085-09-8
- Adenosine 5'-(trihydrogen diphosphate), P'-5'-ester with 3-(aminocarbonyl)-1-beta-D-ribofuranosylpyridinium, inner salt
- 9JM
- SPBio_001012
- Adenine-nicotinamide dinucleotide
- diphosphopyridine nucleotide
- SR-05000001677-1
- CHEMBL3039307
- Nadide [USAN:BAN:INN:JAN]
- Nadide (JAN/USAN/INN)
- [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl hydrogen phosphate
- Nadidum [INN-Latin]
- SR-05000001677
- Nicotinamide-adenine dinucleotide
- Pyridinium, 3-carbamoyl-1-beta-D-ribofuranosyl-, hydroxide, 5'-ester with adenosine 5'-5'-(trihydrogen pyrophosphate), inner salt
- KBioGR_000589
- Prestwick3_000741
- BSPBio_002061
- CHEBI:15846
- Spectrum2_001056
- Spectrum4_000065
- KBio1_000189
- Q26987253
- NAJ
- adenosine 5'-{3-[1-(3-carbamoylpyridinio)-1,4-anhydro-D-ribitol-5-yl] dihydrogen diphosphate}
- 121053-11-0
- 865-05-4
-
- Inchi: 1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/p+1/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
- InChI Key: BAWFJGJZGIEFAR-NNYOXOHSSA-O
- SMILES: P(=O)(O)(OP(=O)(O)OC[C@@H]1[C@H]([C@H]([C@H]([N+]2C=CC=C(C(N)=O)C=2)O1)O)O)OC[C@@H]1[C@H]([C@H]([C@H](N2C=NC3C(N)=NC=NC2=3)O1)O)O
Computed Properties
- Exact Mass: 136.07356
- Monoisotopic Mass: 664.11694759g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 8
- Hydrogen Bond Acceptor Count: 18
- Heavy Atom Count: 44
- Rotatable Bond Count: 11
- Complexity: 1130
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 8
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -5.9
- Topological Polar Surface Area: 318?2
Experimental Properties
- PSA: 80.92
Coconut oil, polymer with benzoic acid, glycerol, pentaerythritol and phthalic anhydride Related Literature
-
C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
-
Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Julia M. Yeomans Soft Matter, 2010,6, 703-704
-
Sheng Wang,Wenxian Xie,Xiu Zhang,Xia Zou,Yan Zhang Chem. Commun., 2012,48, 5907-5909
121053-11-0 (Coconut oil, polymer with benzoic acid, glycerol, pentaerythritol and phthalic anhydride) Related Products
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