(Glcnac)4TP
Basic information
- CAS
141334-39-6- Standard SMILES
CC(=O)NC1[C@@H](OO[C@@H]2O[C@H](C(O)[P+](=O)OO[C@@H]3C[C@@H](O)[C@H](O)[C@@H](CO)O3)[C@@H](O)[C@H](OO[C@@H]3C[C@@H]([O-])[C@H]([O-])[C@@H](C[O-])O3)C2N(NC(C)=O)C(=O)C[P+](=O)Oc2ccc([N+](=O)[O-])cc2NC(=O)C[P+](=O)O)O[C@H](CO)[C@@H](O)[C@@H]1O.[NH4+].[NH4+].[NH4+]- InChIKey
HLTABQJHOPQWIL-UHFFFAOYSA-N- Molecular formula
- C38H66N8O32P3+3
- Average molar mass
- 1,239.9 g/mol
- Monoisotopic mass
- 1,239.2995979
Names & identifiers
- Preferred name
- (Glcnac)4TP
- IUPAC
- triazanium;(2R,3S,4R,6R)-6-[(2S,4R,5R,6S)-2-[(2R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]peroxy-3-[acetamido-[2-[[2-[[2-[hydroxy(oxo)phosphaniumyl]acetyl]amino]-4-nitrophenoxy]-oxophosphaniumyl]acetyl]amino]-6-[[[(2R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]peroxy-oxophosphaniumyl]-hydroxymethyl]-5-hydroxyoxan-4-yl]peroxy-2-(oxidomethyl)oxane-3,4-diolate
- English name
- tetra(2-acetamido-2-deoxy-glucopyranosyl)triphosphate 4-nitrophenyl
- Molecular formula
- C38H63N6O32P3
- Molecular weight
- 1208.85
Names & synonyms
(Glcnac)4TP141334-39-6Tetra(2-acetamido-2-deoxy-glucopyranosyl)triphosphate 4-nitrophenylTetra(N-acetylglucosaminyl)triphosphate 4-nitrophenyl, triammonium saltTetra(2-acetamido-2-deoxy-D-glucopyranosyl)triphosphate 4-nitrophenyl, triammonium saltGlcnac(alpha)-P-3GlcNAc(alpha)-P-3GlcNAc(alpha)-P-3GlcNAc(beta)-onp 4-nitrophenyl, triammonium saltbeta-D-Glucopyranoside, 4-nitrophenyl O-2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyloxyphosphinico-(1-3)-O-2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyloxyphosphinico-1(1-3)-O-2-(acetylamino)-2-deoxy-alpha-D-glucopyranosyloxyphosphinico-(1-3)-2-(acetylamino)-2-deoxy-, triammonium salt
Database identifiers
- CAS
141334-39-6- PubChem CID
- 6367233
Properties
Computed structural properties
- Topological polar surface area
- 560 Ų
- Hydrogen bond donors
- 15
- Hydrogen bond acceptors
- 32
- Rotatable bonds
- 23
- Heavy atoms
- 81
- Formal charge
- 3
- Complexity
- 2,090
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Compound notes
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