NG 011
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Basic information
- CAS
141731-75-1- Standard SMILES
C[C@@H]1Cc2cc(O)cc(O)c2C(=O)O[C@H](C)CC(=O)OC[C@@H](O)CC(=O)O[C@H](C)Cc2cc(O)cc(O)c2C(=O)O[C@H](C)CC(=O)O1- InChIKey
UQFKAQNXJTZJAU-RZOYPLJHSA-N- Molecular formula
- C32H38O15
- Average molar mass
- 662.6 g/mol
- Monoisotopic mass
- 662.2210705
Overview
NG-011 is an organooxygen compound. It is functionally related to a hexacarboxylic acid.
Names & identifiers
- Preferred name
- NG 011
- IUPAC
- (4R,8R,18R,23S,27R)-12,14,23,31,33-pentahydroxy-4,8,18,27-tetramethyl-3,7,17,21,26-pentaoxatricyclo[27.4.0.010,15]tritriaconta-1(29),10(15),11,13,30,32-hexaene-2,6,16,20,25-pentone
- English name
- NG 011
- Molecular formula
- C32H38O15
- Molecular weight
- 662.64
Names & synonyms
141731-75-1NG-011NG 011RefChem:927693(4R,8R,18R,23S,27R)-12,14,23,31,33-Pentahydroxy-4,8,18,27-tetramethyl-3,7,17,21,26-pentaoxatricyclo[27.4.0.010,15]tritriaconta-1(29),10(15),11,13,30,32-hexaene-2,6,16,20,25-pentone5H,7H,16H,24H-Dibenzo[m,w][1,5,10,16,20]pentaoxacyclopentacosin-5,9,14,22,26(8H,11H,17H,25H)-pentone, 12,13,28,29-tetrahydro-2,4,12,19,21-pentahydroxy-7,16,24,28-tetramethyl-, (7R,12S,16R,24R,28R)-(7r,12s,16r,24r,28r)-2,4,12,19,21-pentahydroxy-7,16,24,28-tetramethyl-12,13,28,29-tetrahydro-5h,7h,16h,24h-dibenzo[m,w][1,5,10,16,20]pentaoxacyclopentacosine-5,9,14,22,26(8h,11h,17h,25h)-pentoneSCHEMBL29477243BK223-BDTXSID80931186CHEBI:203454(7R-(7R*,11R*,15R*,23R*,27*))-7,8,11,12,15,16,23,24,27,28-Decahydro-2,4,18,20-tetrahydroxy-11-(hydroxymethyl)-7,15,23,27-tetramethyl-5H,9H,13H,21H,25H-dibenzo(k,u)(1,5,9,15,19)pentaoxacyclotetracosin-5,9,13,21,25-pentone
Show more names
5H,9H,13H,21H,25H-Dibenzo(k,u)(1,5,9,15,19)pentaoxacyclotetracosin-5,9,13,21,25-pentone, 7,8,11,12,15,16,23,24,27,28-decahydro-2,4,18,20-tetrahydroxy-11-(hydroxymethyl)-7,15,23,27-tetramethyl-, (7R-(7R*,11R*,15R*,23R*,27*))-
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 233 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 0
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,100
Physicochemical properties
- Boiling point
- 1079.4 · 1079.4±65.0 °C(Predicted)
- Density
- 1.295 · 1.295±0.06 g/cm3(Predicted)
- pka
- 7.54 · 7.54±0.70(Predicted)
Chemistry & industry
Applications
DescriptionNG 011 is a potentiator of nerve growth factor; NG 011 and NG 012 are epimers at C24; BK223-A & B are regioisomers.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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