Levomefolate glucosamine

C32H51N9O16CAS 1181972-37-1817.81 g/mol

Open in Covalent MOL file
NNHOHNNH2NNHONHOOHOHOONH2OHOHOHHOONH2OHOHOHHO
AlcoholAldehydeAmideCarboxylic acidPrimary amineSecondary amineTertiary amine

Properties

Molecular formula
C32H51N9O16
Molar mass
817.81 g/mol
Exact mass
817.3454 Da
logP
-7.08Crippen estimate
Polar surface area
450.8 Ų
H-bond donors / acceptors
17 / 21
Rotatable bonds
19
Stereocentres
S, S, R, S, R, R, R, S, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
1181972-37-1
SMILES
CN1[C@H](CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)N[C@@H](CCC(=O)O)C(=O)O.C([C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)O.C([C@H]([C@H]([C@@H]([C@H](C=O)N)O)O)O)O
InChIKey
FZDRYCKUVGVDSO-KWWXADPNSA-N
InChI
InChI=1S/C20H25N7O6.2C6H13NO5/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;2*7-3(1-8)5(11)6(12)4(10)2-9/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);2*1,3-6,9-12H,2,7H2/t12-,13-;2*3-,4+,5+,6+/m000/s1

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Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names
  • Glucosamine L-5-methyltetrahydrofolate

Work with Levomefolate glucosamine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Glucosamine3416-24-8Free base Glucosamine hydrochloride66-84-2Salt Glucosamine sulfate29031-19-4Salt Galactosamine hydrochloride1772-03-8Salt, diastereomer D-Glucosamine sulfate14999-43-0Salt D-Mannosamine hydrochloride5505-63-5Salt, diastereomer Calcium mefolinate26560-38-3Salt, stereoisomer Levomefolate calcium151533-22-1Salt

Similar compounds

5-Methyltetrahydrofolic acid134-35-053 % similar Levomefolic acid31690-09-253 % similar Leucovorin58-05-947 % similar Leucovorin calcium pentahydrate6035-45-646 % similar Tetrahydrofolic acid135-16-041 % similar Aminopterin54-62-639 % similar N-(4-Aminobenzoyl)-L-glutamic acid4271-30-138 % similar Dihydrofolic acid4033-27-637 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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