Psicose diacetonide

CAT: 0926-MP02639Size: 1 gDry Ice: NoHazardous: No

1 / 1

CAT#:0926-MP02639Size:1 g

Selected

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

Quick Request Actions

CAS Number

205582-81-6

Synonyms

2,3:4,5-Di-O-isopropylidene-a-D-psicopyranose

Smiles

CC1 (O[C@@H]2CO[C@]3 ([C@@H] ([C@@H]2O1) OC (O3) (C) C) CO) C

Controlled

Chemical Information

Psicose diacetonide

CAS Number	205582-81-6
PubChem CID	40489602
IUPAC Name	[(1R,2R,6R,9R)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-6-yl]methanol
Molecular Formula	C12H20O6
Molecular Weight	260.28
XLogP	-0.3
Topological Polar Surface Area	66.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Heavy Atom Count	18
Formal Charge	0
Complexity	354

SMILES

CC1(O[C@@H]2CO[C@]3([C@@H]([C@@H]2O1)OC(O3)(C)C)CO)C

InChI

InChI=1S/C12H20O6/c1-10(2)15-7-5-14-12(6-13)9(8(7)16-10)17-11(3,4)18-12/h7-9,13H,5-6H2,1-4H3/t7-,8-,9-,12-/m1/s1

InChIKey

PSSHGMIAIUYOJF-MFYTUXHUSA-N

Chemical Structure

2D Structure

CAS: 205582-81-6

CID: 40489602

Formula: C12H20O6

MW: 260.28

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	260.28
XLogP3	-0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	1
Exact Mass	260.12598835
Monoisotopic Mass	260.12598835
Topological Polar Surface Area	66.4 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	354
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

Catalog	Name
MP10127-01	Pinitol diacetonide
MK24809-01	Kifunensine diacetonide
MP03557-01	D-Psicose
MP07129-01	L-Psicose
EAA30029-01	D-Psicose 6-phosphate sodium
CDA76921-01	Ingenol-3,4:5,20-diacetonide
MA46657-01	1-Amino-1-deoxy-D-psicose hydrochloride
CKC65548-01	Ledipasvir diacetone
FD36857-01	Diacetone acrylamide
MD06795-01	Diacetone-D-glucose