FR054

CAT: 0127-BUP16223-04Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-BUP16223-04Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

35954-65-5

Purity

=98%

Smiles

CC(=O)OC[C@H]1O[C@@H]2OC(C)=N[C@@H]2[C@@H](OC(C)=O)[C@@H]1OC(C)=O

Chemical Information

2-Methyl-(3,4,6-tri-O-acetyl-1,2-dideoxy-alpha-D-glucopyrano)-[2,1-D]-2-oxazoline

CAS Number	35954-65-5
PubChem CID	9883925
IUPAC Name	[(3aR,5R,6S,7R,7aR)-6,7-diacetyloxy-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazol-5-yl]methyl acetate
Molecular Formula	C14H19NO8
Molecular Weight	329.30
XLogP	-0.5
Topological Polar Surface Area	110
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Heavy Atom Count	23
Formal Charge	0
Complexity	531

SMILES

CC1=N[C@@H]2[C@H]([C@@H]([C@H](O[C@@H]2O1)COC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C14H19NO8/c1-6-15-11-13(22-9(4)18)12(21-8(3)17)10(5-19-7(2)16)23-14(11)20-6/h10-14H,5H2,1-4H3/t10-,11-,12-,13-,14+/m1/s1

InChIKey

WZFQZRLQMXZMJA-KSTCHIGDSA-N

Chemical Structure

2D Structure

CAS: 35954-65-5

CID: 9883925

Formula: C14H19NO8

MW: 329.30

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	329.30
XLogP3	-0.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	7
Exact Mass	329.11106656
Monoisotopic Mass	329.11106656
Topological Polar Surface Area	110 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	531
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes