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93919-29-0 Purity
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96%
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2,4,5-Tri-O-tetradecyl-D-glucitol
CAS
93919-37-0
Catalog Number
ACM93919370
Category
Other Products
Molecular Weight
771.288120 [g/mol]
Molecular Formula
C48H98O6
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Specification
Synonyms
EINECS 300-022-3, 2,4,5-Tri-O-tetradecyl-D-glucitol, 93919-37-0
IUPAC Name
(2S,3R,4S,5R)-2,4,5-tri(tetradecoxy)hexane-1,3,6-triol
Canonical SMILES
CCCCCCCCCCCCCCOC(CO)C(C(C(CO)OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC)O
InChI Key
FMWGXHAYSHONFH-AVNIMNHSSA-N
EC Number
300-022-3
Exact Mass
770.73600
H-Bond Acceptor
6
H-Bond Donor
3
What is the molecular formula of 2,4,5-Tri-O-tetradecyl-D-glucitol?
The molecular formula of 2,4,5-Tri-O-tetradecyl-D-glucitol is C48H98O6.
When was 2,4,5-Tri-O-tetradecyl-D-glucitol created and last modified?
2,4,5-Tri-O-tetradecyl-D-glucitol was created on 2009-08-20 and last modified on 2023-12-30.
What is the IUPAC name of 2,4,5-Tri-O-tetradecyl-D-glucitol?
The IUPAC name of 2,4,5-Tri-O-tetradecyl-D-glucitol is (2S,3R,4S,5R)-2,4,5-tri(tetradecoxy)hexane-1,3,6-triol.
What is the InChIKey of 2,4,5-Tri-O-tetradecyl-D-glucitol?
The InChIKey of 2,4,5-Tri-O-tetradecyl-D-glucitol is FMWGXHAYSHONFH-AVNIMNHSSA-N.
What is the Canonical SMILES of 2,4,5-Tri-O-tetradecyl-D-glucitol?
The Canonical SMILES of 2,4,5-Tri-O-tetradecyl-D-glucitol is CCCCCCCCCCCCCCOC(CO)C(C(C(CO)OCCCCCCCCCCCCCC)OCCCCCCCCCCCCCC)O.
What is the XLogP3-AA value of 2,4,5-Tri-O-tetradecyl-D-glucitol?
The XLogP3-AA value of 2,4,5-Tri-O-tetradecyl-D-glucitol is 18.
How many hydrogen bond donor counts are there in 2,4,5-Tri-O-tetradecyl-D-glucitol?
There are 3 hydrogen bond donor counts in 2,4,5-Tri-O-tetradecyl-D-glucitol.
What is the heavy atom count of 2,4,5-Tri-O-tetradecyl-D-glucitol?
The heavy atom count of 2,4,5-Tri-O-tetradecyl-D-glucitol is 54.
How many defined atom stereocenter counts are there in 2,4,5-Tri-O-tetradecyl-D-glucitol?
There are 4 defined atom stereocenter counts in 2,4,5-Tri-O-tetradecyl-D-glucitol.
How many rotatable bond counts are there in 2,4,5-Tri-O-tetradecyl-D-glucitol?
There are 47 rotatable bond counts in 2,4,5-Tri-O-tetradecyl-D-glucitol.
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