CAS
953414-75-0 Purity
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953414-75-0 Purity
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A-L-FUCOPYRANOSYLPHENYL ISOTHIOCYANATE
CAS
95344-14-2
Catalog Number
ACM95344142
Category
Other Products
Molecular Weight
297.326900 [g/mol]
Molecular Formula
C13H15NO5S
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Specification
Synonyms
|A-L-Fucopyranosylphenyl isothiocyanate, Isothiocyanatophenyl |A-L-fucopyranoside, 142702-33-8, 95344-14-2
IUPAC Name
2-(4-isothiocyanatophenoxy)-6-methyloxane-3,4,5-triol
InChI Key
UDYHMLWCTHVMQT-UHFFFAOYSA-N
Boiling Point
515.1±50.0 °C (760 mmHg)
Density
1.46±0.1 g/cm³ (20 °C, 760 mmHg)
Exact Mass
297.06700
H-Bond Acceptor
7
H-Bond Donor
3
What is the molecular formula of A-L-FUCOPYRANOSYLPHENYL ISOTHIOCYANATE?
The molecular formula is C13H15NO4S.
What is the molecular weight of A-L-FUCOPYRANOSYLPHENYL ISOTHIOCYANATE?
The molecular weight is 281.33 g/mol.
What is the IUPAC name of A-L-FUCOPYRANOSYLPHENYL ISOTHIOCYANATE?
The IUPAC name is (2S,3S,4R,5S,6S)-2-(3-isothiocyanatophenyl)-6-methyloxane-3,4,5-triol.
What is the InChI of A-L-FUCOPYRANOSYLPHENYL ISOTHIOCYANATE?
The InChI is InChI=1S/C13H15NO4S/c1-7-10(15)11(16)12(17)13(18-7)8-3-2-4-9(5-8)14-6-19/h2-5,7,10-13,15-17H,1H3/t7-,10+,11+,12-,13-/m0/s1.
What is the InChIKey of A-L-FUCOPYRANOSYLPHENYL ISOTHIOCYANATE?
The InChIKey is PGWHFWPQUYHRDN-HONSUDCCSA-N.
What is the Canonical SMILES of A-L-FUCOPYRANOSYLPHENYL ISOTHIOCYANATE?
The Canonical SMILES is CC1C(C(C(C(O1)C2=CC(=CC=C2)N=C=S)O)O)O.
What is the Isomeric SMILES of A-L-FUCOPYRANOSYLPHENYL ISOTHIOCYANATE?
The Isomeric SMILES is C[C@H]1[C@H]([C@H]([C@@H]([C@@H](O1)C2=CC(=CC=C2)N=C=S)O)O)O.
What is the XLogP3-AA value of A-L-FUCOPYRANOSYLPHENYL ISOTHIOCYANATE?
The XLogP3-AA value is 1.4.
How many hydrogen bond donor counts are there in A-L-FUCOPYRANOSYLPHENYL ISOTHIOCYANATE?
There are 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts are there in A-L-FUCOPYRANOSYLPHENYL ISOTHIOCYANATE?
There are 6 hydrogen bond acceptor counts.
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