CAS
97337-85-4 Purity
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97337-85-4 Purity
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![Disodium 6-[[2,4-dihydroxy-3-[(4-nitrophenyl)azo]phenyl]azo]-4-hydroxy-3-[(2-hydroxy-3-nitro-5-sulphonatophenyl)azo]naphthalene-2-sulphonate](https://resource.alfa-chemistry.com/structure/97337-89-8.gif)
![1-[6-[[[[3-[[(Cyclohexylamino)carbonyl]amino]-5-methylphenyl]amino]carbonyl]amino]hexyl]-3-[3-methyl-5-[[(octadecylamino](https://resource.alfa-chemistry.com/structure/97337-90-1.gif)
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1,2,3,4,5,6-Hexa-O-octadec-9-en-1-yl-D-glucitol
CAS
97337-88-7
Catalog Number
ACM97337887
Category
Other Products
Molecular Weight
1684.947120 [g/mol]
Molecular Formula
C114H218O6
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Specification
Synonyms
EINECS 306-583-0, 1,2,3,4,5,6-Hexa-O-octadec-9-en-1-yl-D-glucitol, 97337-88-7
IUPAC Name
(E)-1-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis[(E)-octadec-9-enoxy]hexoxy]octadec-9-ene
Canonical SMILES
CCCCCCCCC=CCCCCCCCCOCC(C(C(C(COCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC)OCCCCCCCCC=CCCCCCCCC
InChI Key
IJHGPLLMPZZQLH-NUDMUACSSA-N
EC Number
306-583-0
Exact Mass
1683.68000
H-Bond Acceptor
6
H-Bond Donor
0
What is the molecular formula of 1,2,3,4,5,6-Hexa-O-octadec-9-en-1-yl-D-glucitol?
The molecular formula is C114H218O6.
When was 1,2,3,4,5,6-Hexa-O-octadec-9-en-1-yl-D-glucitol created and modified on PubChem?
It was created on August 20, 2009, and modified on December 30, 2023.
What is the IUPAC name of 1,2,3,4,5,6-Hexa-O-octadec-9-en-1-yl-D-glucitol?
The IUPAC name is (E)-1-[(2S,3R,4R,5R)-2,3,4,5,6-pentakis[(E)-octadec-9-enoxy]hexoxy]octadec-9-ene.
What is the InChIKey of 1,2,3,4,5,6-Hexa-O-octadec-9-en-1-yl-D-glucitol?
The InChIKey is IJHGPLLMPZZQLH-NUDMUACSSA-N.
How many hydrogen bond acceptors does 1,2,3,4,5,6-Hexa-O-octadec-9-en-1-yl-D-glucitol have?
It has 6 hydrogen bond acceptors.
What is the topological polar surface area of 1,2,3,4,5,6-Hexa-O-octadec-9-en-1-yl-D-glucitol?
The topological polar surface area is 55.4 Å2.
What is the formal charge of 1,2,3,4,5,6-Hexa-O-octadec-9-en-1-yl-D-glucitol?
The formal charge is 0.
How many defined atom stereocenters does 1,2,3,4,5,6-Hexa-O-octadec-9-en-1-yl-D-glucitol have?
It has 4 defined atom stereocenters.
What is the heavy atom count of 1,2,3,4,5,6-Hexa-O-octadec-9-en-1-yl-D-glucitol?
The heavy atom count is 120.
What is the complexity value of 1,2,3,4,5,6-Hexa-O-octadec-9-en-1-yl-D-glucitol?
The complexity value is 1870.
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