Nafocare B1 25mg

CAT: 0628-A20508-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0628-A20508-25Size:25 mg

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

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CAS Number

93135-89-8

Chemical Information

Nafocare B1

CAS Number	93135-89-8
PubChem CID	188205
IUPAC Name	(3S,3aR,6S,6aS)-3,6,6a-trihydroxy-6-(5-methylfuran-2-yl)-3,3a-dihydro-2H-furo[3,2-b]furan-5-one
Molecular Formula	C11H12O7
Molecular Weight	256.21
XLogP	-1.4
Topological Polar Surface Area	109
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	386

SMILES

CC1=CC=C(O1)[C@]2(C(=O)O[C@H]3[C@@]2(OC[C@@H]3O)O)O

InChI

InChI=1S/C11H12O7/c1-5-2-3-7(17-5)10(14)9(13)18-8-6(12)4-16-11(8,10)15/h2-3,6,8,12,14-15H,4H2,1H3/t6-,8+,10+,11-/m0/s1

InChIKey

JSWWYAITRNDLLQ-HBJDUEGVSA-N

Chemical Structure

2D Structure

CAS: 93135-89-8

CID: 188205

Formula: C11H12O7

MW: 256.21

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	256.21
XLogP3	-1.4
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	1
Exact Mass	256.05830272
Monoisotopic Mass	256.05830272
Topological Polar Surface Area	109 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	386
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes