CAS 75660-79-6 | Globo-N-tetraose | CAS Number 75660-79-6

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75660-79-6 | Globo-N-tetraose

CAS No: 75660-79-6 Catalog No: AG005IY5 MDL No:

Product Description

Catalog Number:

AG005IY5

Chemical Name:

Globo-N-tetraose

CAS Number:

75660-79-6

Molecular Formula:

C26H45NO21

Molecular Weight:

707.6296

IUPAC Name:

N-[(2S,3R,4R,5R,6R)-2-[(2R,3R,4S,5S,6R)-2-[(2R,3R,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

InChI:

InChI=1S/C26H45NO21/c1-6(32)27-11-14(35)12(33)7(2-28)43-24(11)48-22-13(34)8(3-29)44-26(19(22)40)47-21-10(5-31)45-25(18(39)16(21)37)46-20-9(4-30)42-23(41)17(38)15(20)36/h7-26,28-31,33-41H,2-5H2,1H3,(H,27,32)/t7-,8-,9-,10-,11-,12+,13+,14-,15-,16-,17-,18-,19-,20-,21+,22+,23?,24+,25+,26-/m1/s1

InChI Key:

JMPCSGHAAIDYIN-WASRWFGHSA-N

SMILES:

OCC1OC(OC2C(CO)OC(C(C2O)O)O)C(C(C1OC1OC(CO)C(C(C1O)OC1OC(CO)C(C(C1NC(=O)C)O)O)O)O)O

Properties

Complexity:

1030

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

707.248g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

707.632g/mol

Monoisotopic Mass:

707.248g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

357A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

-8.5

Literature

Title	Journal
Synthesis of globopentaose using a novel beta1,3-galactosyltransferase activity of the Haemophilus influenzae beta1,3-N-acetylgalactosaminyltransferase LgtD.	FEBS letters 20070612
Large scale in vivo synthesis of globotriose and globotetraose by high cell density culture of metabolically engineered Escherichia coli.	Biochimie 20050201
Synthesis of complex carbohydrates and glyconjugates: enzymatic synthesis of globotetraose using alpha-1,3-N-acetylgalactosaminyltransferase LgtD from Haemophilus infuenzae strain Rd.	Methods in molecular biology (Clifton, N.J.) 20050101
Synthesis of a globotetraose trimer.	Carbohydrate research 20020513