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NG 011

CAT: 0862-GW7799-5mgSize: 5 mgDry Ice: NoHazardous: No
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CAT#:0862-GW7799-5mgSize:5 mg
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CAS Number
141731-75-1
Storage Conditions
-20°C
Hazardous Class
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Chemical Information

NG 011

NG-011 is an organooxygen compound. It is functionally related to a hexacarboxylic acid.

CAS Number141731-75-1
PubChem CID164440
IUPAC Name(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
Molecular FormulaC32H38O15
Molecular Weight662.6
XLogP3.9
Topological Polar Surface Area233
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count0
Heavy Atom Count47
Formal Charge0
Complexity1100
SMILES
C[C@@H]1CC2=C(C(=CC(=C2)O)O)C(=O)O[C@@H](CC(=O)OC[C@H](CC(=O)O[C@@H](CC3=C(C(=CC(=C3)O)O)C(=O)O[C@@H](CC(=O)O1)C)C)O)C
InChI
InChI=1S/C32H38O15/c1-15-5-19-9-21(33)11-24(36)29(19)31(41)46-17(3)7-26(38)43-14-23(35)13-28(40)45-16(2)6-20-10-22(34)12-25(37)30(20)32(42)47-18(4)8-27(39)44-15/h9-12,15-18,23,33-37H,5-8,13-14H2,1-4H3/t15-,16-,17-,18-,23+/m1/s1
InChIKey
UQFKAQNXJTZJAU-RZOYPLJHSA-N
Chemical Structure
2D Structure
2D structure of NG 011
CAS: 141731-75-1
CID: 164440
Formula: C32H38O15
MW: 662.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight662.6
XLogP33.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count15
Rotatable Bond Count0
Exact Mass662.22107050
Monoisotopic Mass662.22107050
Topological Polar Surface Area233 Ų
Heavy Atom Count47
Formal Charge0
Complexity1100
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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