Acetyl-D-mannosamine,N-[mannosamine-6-3h]

CAS

94725-25-4

Catalog Number

ACM94725254

Category

Other Products

Molecular Weight

225.22

Molecular Formula

C₈H₁₃NO₆T₂

MSDS COA Spec Sheet

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Specification

Synonyms

N-ACETYL-D-MANNOSAMINE, [MANNOSAMINE-6-3H];ACETYL-D-MANNOSAMINE, N-[MANNOSAMINE-6-3H]

What is the molecular formula of Acetyl-D-mannosamine?

The molecular formula of Acetyl-D-mannosamine is C8H15NO6.

What is the molecular weight of Acetyl-D-mannosamine?

The molecular weight of Acetyl-D-mannosamine is 225.22 g/mol.

What is the IUPAC name of Acetyl-D-mannosamine?

The IUPAC name of Acetyl-D-mannosamine is N-[(2S,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxo-6,6-ditritiohexan-2-yl]acetamide.

What is the InChI of Acetyl-D-mannosamine?

The InChI of Acetyl-D-mannosamine is InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6-,7-,8-/m1/s1/i3T2.

What is the InChIKey of Acetyl-D-mannosamine?

The InChIKey of Acetyl-D-mannosamine is MBLBDJOUHNCFQT-HSCSZNGCSA-N.

What is the canonical SMILES of Acetyl-D-mannosamine?

The canonical SMILES of Acetyl-D-mannosamine is CC(=O)NC(C=O)C(C(C(CO)O)O)O.

What are the computed properties of Acetyl-D-mannosamine?

The computed properties of Acetyl-D-mannosamine include molecular weight (225.22 g/mol), XLogP3-AA (-3.4), hydrogen bond donor count (5), hydrogen bond acceptor count (6), rotatable bond count (6), exact mass (225.10638570 g/mol), monoisotopic mass (225.10638570 g/mol), topological polar surface area (127 ?2), heavy atom count (15), formal charge (0), complexity (221), isotope atom count (2), 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), and canonicalization (Yes).

What is the XLogP3-AA of Acetyl-D-mannosamine?

The XLogP3-AA of Acetyl-D-mannosamine is -3.4.

How many hydrogen bond donor counts does Acetyl-D-mannosamine have?

Acetyl-D-mannosamine has 5 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Acetyl-D-mannosamine have?

Acetyl-D-mannosamine has 6 hydrogen bond acceptor counts.

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