CAS
94402-56-1 Purity
96%
94402-56-1 Purity
96%
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Methyl 5,9-anhydro-2,4-Dideoxy-D-glycero-d-gulo-dec-3-ulosonate
CAS
94405-96-6
Catalog Number
ACM94405966
Category
Other Products
Molecular Weight
278.255820 [g/mol]
Molecular Formula
C11H18O8
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Specification
Synonyms
EINECS 305-292-6, Methyl 5,9-anhydro-2,4-dideoxy-D-glycero-D-gulo-dec-3-ulosonate, 94405-96-6
IUPAC Name
methyl 3-oxo-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoate
SMILES
COC(=O)CC(=O)CC1C(C(C(C(O1)CO)O)O)O
InChI Key
XLUDPIYTXVEGSE-FZHDAFOHSA-N
EC Number
305-292-6
Exact Mass
278.10000
H-Bond Acceptor
8
H-Bond Donor
4
What is the molecular formula of Methyl 5,9-anhydro-2,4-Dideoxy-D-glycero-d-gulo-dec-3-ulosonate?
The molecular formula is C11H18O8.
What are the synonyms of Methyl 5,9-anhydro-2,4-Dideoxy-D-glycero-d-gulo-dec-3-ulosonate?
The synonyms are EINECS 305-292-6, Methyl 5,9-anhydro-2,4-dideoxy-D-glycero-D-gulo-dec-3-ulosonate, and 94405-96-6.
What is the molecular weight of Methyl 5,9-anhydro-2,4-Dideoxy-D-glycero-d-gulo-dec-3-ulosonate?
The molecular weight is 278.26 g/mol.
What is the IUPAC name of Methyl 5,9-anhydro-2,4-Dideoxy-D-glycero-d-gulo-dec-3-ulosonate?
The IUPAC name is methyl 3-oxo-4-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]butanoate.
What is the InChI of Methyl 5,9-anhydro-2,4-Dideoxy-D-glycero-d-gulo-dec-3-ulosonate?
The InChI is InChI=1S/C11H18O8/c1-18-8(14)3-5(13)2-6-9(15)11(17)10(16)7(4-12)19-6/h6-7,9-12,15-17H,2-4H2,1H3/t6-,7+,9-,10+,11+/m0/s1.
What is the InChIKey of Methyl 5,9-anhydro-2,4-Dideoxy-D-glycero-d-gulo-dec-3-ulosonate?
The InChIKey is XLUDPIYTXVEGSE-FZHDAFOHSA-N.
What is the Canonical SMILES of Methyl 5,9-anhydro-2,4-Dideoxy-D-glycero-d-gulo-dec-3-ulosonate?
The Canonical SMILES is COC(=O)CC(=O)CC1C(C(C(C(O1)CO)O)O)O.
What is the Isomeric SMILES of Methyl 5,9-anhydro-2,4-Dideoxy-D-glycero-d-gulo-dec-3-ulosonate?
The Isomeric SMILES is COC(=O)CC(=O)C[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O.
What is the CAS number of Methyl 5,9-anhydro-2,4-Dideoxy-D-glycero-d-gulo-dec-3-ulosonate?
The CAS number is 94405-96-6.
What is the molecular weight, XLogP3-AA value, and the hydrogen bond donor count of Methyl 5,9-anhydro-2,4-Dideoxy-D-glycero-d-gulo-dec-3-ulosonate?
The molecular weight is 278.26 g/mol, the XLogP3-AA value is -2.3, and the hydrogen bond donor count is 4.
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