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Structure

Alpha-delta-ua-[1->3]-galnac-6s sodium salt

CAS
136132-72-4
Catalog Number
ACM136132724
Category
Other Products
Molecular Weight
503.34
Molecular Formula
C14H19NNa2O14S

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Specification

Synonyms
ALPHA-DELTA-UA-[1->3]-GALNAC-6S SODIUM SALT;CHONDROITIN DISACCHARIDE DELTA-DI-6S SODIUM SALT;DISACCHARIDE DELTA DI-6S;DELTAUA->GALNAC-6S NA2;CHONDROITIN DISACCHARIDE DDI-6S SODIUM;chondroitin disaccharide △di-6s sodium salt;α-△ua-[1→3]-galnac-6s
What is the molecular formula of Alpha-delta-ua-[1->3]-galnac-6s sodium salt?

The molecular formula is C14H19NNa2O14S.

What is the molecular weight of Alpha-delta-ua-[1->3]-galnac-6s sodium salt?

The molecular weight is 503.3 g/mol.

What is the IUPAC Name of Alpha-delta-ua-[1->3]-galnac-6s sodium salt?

The IUPAC Name is disodium;2-[3-acetamido-2,5-dihydroxy-6-(sulfonatooxymethyl)oxan-4-yl]oxy-3,4-dihydroxy-3,4-dihydro-2H-pyran-6-carboxylate.

What is the InChI of Alpha-delta-ua-[1->3]-galnac-6s sodium salt?

The InChI is InChI=1S/C14H21NO14S.2Na/c1-4(16)15-8-11(10(19)7(27-13(8)22)3-26-30(23,24)25)29-14-9(18)5(17)2-6(28-14)12(20)21;;/h2,5,7-11,13-14,17-19,22H,3H2,1H3,(H,15,16)(H,20,21)(H,23,24,25);;/q;2*+1/p-2.

What is the Canonical SMILES of Alpha-delta-ua-[1->3]-galnac-6s sodium salt?

The Canonical SMILES is CC(=O)NC1C(C(C(OC1O)COS(=O)(=O)[O-])O)OC2C(C(C=C(O2)C(=O)[O-])O)O.[Na+].[Na+].

How many hydrogen bond donor counts does Alpha-delta-ua-[1->3]-galnac-6s sodium salt have?

It has 5 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does Alpha-delta-ua-[1->3]-galnac-6s sodium salt have?

It has 14 hydrogen bond acceptor counts.

How many rotatable bond counts does Alpha-delta-ua-[1->3]-galnac-6s sodium salt have?

It has 5 rotatable bond counts.

What is the exact mass of Alpha-delta-ua-[1->3]-galnac-6s sodium salt?

The exact mass is 503.03216402 g/mol.

Is Alpha-delta-ua-[1->3]-galnac-6s sodium salt a canonicalized compound?

Yes, it is a canonicalized compound.

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