Sodium polypectate

• CAS: 9049-37-0
• Catalog Number: ACM9049370
• Category: Other Products
• Molecular Weight: 566.4g/mol
• Molecular Formula: C18H23NaO19-2
• Synonyms: pecticacid,sodiumsalt;SODIUM POLYPECTATE;POLYANHYDROGALACTURONIC ACID SODIUM SALT;POLYGALACTURONIC ACID SODIUM SALT;polygalacturonic acid, sodium salt from citrus fr;POLYGALACTURONIC ACID,SODIUM SALT FROM C ITRUS FRUIT;POLYGALACTURONIC ACID SODIUN;Polyanhydrogalacturonicacid,Sodiumpolypectate
• IUPAC Name: sodium;(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxylato-6-[(2S,3R,4R,5R,6S)-2-carboxylato-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate
• Canonical SMILES: C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)[O-])OC3C(C(C(OC3C(=O)[O-])O)O)O)O)O)C(=O)[O-])O)O.[Na+]
• InChI: InChI=1S/C18H26O19.Na/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29;/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31);/q;+1/p-3/t1-,2+,3+,4+,5+,6+,7+,8+,9+,10-,11-,12-,16-,17-,18-;/m0./s1
• InChI Key: NUCACHWVTZGFJN-PYSZDIKSSA-K
• Complexity: 836
• Covalently-Bonded Unit Count: 2
• Exact Mass: 566.073123g/mol
• Formal Charge: -2
• H-Bond Acceptor: 19
• H-Bond Donor: 8
• Heavy Atom Count: 38
• Monoisotopic Mass: 566.073123g/mol
• Rotatable Bond Count: 4

Custom Q&A

What is the molecular formula of sodium polypectate?

The molecular formula of sodium polypectate is C18H23NaO19-2.

What is the molecular weight of sodium polypectate?

The molecular weight of sodium polypectate is 566.4 g/mol.

What is the IUPAC name of sodium polypectate?

The IUPAC name of sodium polypectate is sodium;(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxylato-6-[(2S,3R,4R,5R,6S)-2-carboxylato-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate.

What is the InChI of sodium polypectate?

The InChI of sodium polypectate is InChI=1S/C18H26O19.Na/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29;/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31);/q;+1/p-3/t1-,2+,3+,4+,5+,6+,7+,8+,9+,10-,11-,12-,16-,17-,18-;/m0./s1.

What is the molecular formula of the parent compound of sodium polypectate?

The molecular formula of the parent compound of sodium polypectate is CID 5287609 (alpha-D-GalpA-(1->4)-alpha-D-GalpA-(1->4)-alpha-D-GalpA).

What is the CAS number of sodium polypectate?

The CAS number of sodium polypectate is 9049-37-0.

How many hydrogen bond donor counts does sodium polypectate have?

Sodium polypectate has 8 hydrogen bond donor counts.

How many hydrogen bond acceptor counts does sodium polypectate have?

Sodium polypectate has 19 hydrogen bond acceptor counts.

How many rotatable bond counts does sodium polypectate have?

Sodium polypectate has 4 rotatable bond counts.

What is the formal charge of sodium polypectate?

The formal charge of sodium polypectate is -2.