CAS
95058-77-8 Purity
96%
95058-77-8 Purity
96%
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D-Threo-pentonic acid,2-deoxy-2,2-difluoro-4,5-O-(1-methylethylidene)-,ethyl ester
CAS
95058-93-8
Catalog Number
ACM95058938
Category
Other Products
Molecular Weight
254.227846 [g/mol]
Molecular Formula
C10H16F2O5
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Specification
Synonyms
D-THREO-PENTONIC ACID, 2-DEOXY-2,2-DIFLUORO-4,5-O-(1-METHYLETHYLIDENE)-, ETHYL ESTER
IUPAC Name
ethyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanoate
Canonical SMILES
CCOC(=O)C(C(C1COC(O1)(C)C)O)(F)F
InChI Key
OUFRYOWGFSOSEY-RQJHMYQMSA-N
Boiling Point
338.4ºC at 760 mmHg
Flash Point
158.5ºC
Density
1.232g/cm³
Exact Mass
254.09700
H-Bond Acceptor
7
H-Bond Donor
1
What is the molecular formula of D-Threo-pentonic acid, 2-deoxy-2,2-difluoro-4,5-O-(1-methylethylidene)-,ethyl ester?
The molecular formula is C10H16F2O5.
When was the structure of D-Threo-pentonic acid, 2-deoxy-2,2-difluoro-4,5-O-(1-methylethylidene)-,ethyl ester created?
The structure was created on February 8, 2007.
What is the IUPAC name of D-Threo-pentonic acid, 2-deoxy-2,2-difluoro-4,5-O-(1-methylethylidene)-,ethyl ester?
The IUPAC name is ethyl (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-difluoro-3-hydroxypropanoate.
What is the InChIKey of D-Threo-pentonic acid, 2-deoxy-2,2-difluoro-4,5-O-(1-methylethylidene)-,ethyl ester?
The InChIKey is OUFRYOWGFSOSEY-RQJHMYQMSA-N.
How many hydrogen bond acceptor count does D-Threo-pentonic acid, 2-deoxy-2,2-difluoro-4,5-O-(1-methylethylidene)-,ethyl ester have?
It has 7 hydrogen bond acceptor counts.
What is the exact mass of D-Threo-pentonic acid, 2-deoxy-2,2-difluoro-4,5-O-(1-methylethylidene)-,ethyl ester?
The exact mass is 254.09657993 g/mol.
What is the topological polar surface area of D-Threo-pentonic acid, 2-deoxy-2,2-difluoro-4,5-O-(1-methylethylidene)-,ethyl ester?
The topological polar surface area is 65 Ų.
How many defined atom stereocenter counts are there in D-Threo-pentonic acid, 2-deoxy-2,2-difluoro-4,5-O-(1-methylethylidene)-,ethyl ester?
There are 2 defined atom stereocenter counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
What is the complexity value of D-Threo-pentonic acid, 2-deoxy-2,2-difluoro-4,5-O-(1-methylethylidene)-,ethyl ester?
The complexity value is 292.
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