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L-Ascorbic Acid 2-(Dihydrogen phosphate) N,N-Dicyclohexylcyclohexanamine

CAT: 0572-TRC-A787005-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-A787005-100MGSize:100 mg
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CAS Number
65718-26-5
Synonyms
L-Ascorbic acid 2-monophosphate tris-cyclohexylammonium salt; L-Ascorbic acid 2-(dihydrogenphosphate) compd. with N,N-dicyclohexylhexanamine (1:1)
Hazard Statement
No Data Available
Smiles
OC[C@H](O)[C@H]1OC(=O)C(=C1O)OP(=O)(O)O.C2CCC(CC2)N(C3CCCCC3)C4CCCCC4
Molecular Formula
C18 H33 N . C6 H9 O9 P
Molecular Weight
519.57
InChI
InChI=1S/C18H33N.C6H9O9P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13/h16-18H,1-15H2;2,4,7-9H,1H2,(H2,11,12,13)/t;2-,4+/m.0/s1
Additionnal Information
IUPAC name: N,N-dicyclohexylcyclohexanamine;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
Shipping Conditions
Room Temperature

Chemical Information

L-Ascorbic Acid 2-(Dihydrogen phosphate) N,N-Dicyclohexylcyclohexanamine
CAS Number65718-26-5
PubChem CID129318100
IUPAC NameN,N-dicyclohexylcyclohexanamine;[(2R)-2-[(1S)-1,2-dihydroxyethyl]-3-hydroxy-5-oxo-2H-furan-4-yl] dihydrogen phosphate
Molecular FormulaC24H42NO9P
Molecular Weight519.6
Topological Polar Surface Area157
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count35
Formal Charge0
Complexity570
SMILES
C1CCC(CC1)N(C2CCCCC2)C3CCCCC3.C([C@@H]([C@@H]1C(=C(C(=O)O1)OP(=O)(O)O)O)O)O
InChI
InChI=1S/C18H33N.C6H9O9P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;7-1-2(8)4-3(9)5(6(10)14-4)15-16(11,12)13/h16-18H,1-15H2;2,4,7-9H,1H2,(H2,11,12,13)/t;2-,4+/m.0/s1
InChIKey
ZQYGMZCRFGEXCT-SXVVAMDVSA-N
Chemical Structure
2D Structure
2D structure of L-Ascorbic Acid 2-(Dihydrogen phosphate) N,N-Dicyclohexylcyclohexanamine
CAS: 65718-26-5
CID: 129318100
Formula: C24H42NO9P
MW: 519.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight519.6
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass519.25971891
Monoisotopic Mass519.25971891
Topological Polar Surface Area157 Ų
Heavy Atom Count35
Formal Charge0
Complexity570
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
453219-01L-Ascorbic Acid 2- (Dihydrogen phosphate) N, N-Dicyclohexylcyclohexanamine discontinued
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AR-A04778-01L-Ascorbic Acid 2- (Dihydrogen Phosphate) Magnesium Salt
LC-9500.1Potassium dihydrogen phosphate Standard volumetric solution 1 M (1 N)
3120155Sodium dihydrogen thiophosphate IP (Sodium phosphate monobasic) (Sodium acid phosphate)
453218-01L-Ascorbic acid 2- (Dihydrogen Phosphate) Magnesium Salt (Technical Grade)
MA76722N-Acetylmuramic acid 6-phosphate
MA158030-01N-Acetylneuraminic acid 9-phosphate
3125005Sodium dihydrogen orthophosphate I.P (Sodium phosphate monobasic) Sodium acid phosphate)
130133NANS (Sialic Acid Synthase, N-Acetylneuraminate Synthase, N-acetylneuraminic Acid Synthase, N-acetylneuraminate-9-phosphate Synthase, N-acetylneuraminic Acid Phosphate Synthase, SAS)

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