α-D-Glucopyranose, 2-deoxy-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 1-(dihydrogen phosphate) 3-[(3R)-3-hydroxytetradecanoate]
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α-D-Glucopyranose, 2-deoxy-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 1-(dihydrogen phosphate) 3-[(3R)-3-hydroxytetradecanoate]
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CAS No:
86559-73-1
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Formula:
C34H66NO12P
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Chemical Name:
α-D-Glucopyranose, 2-deoxy-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 1-(dihydrogen phosphate) 3-[(3R)-3-hydroxytetradecanoate]
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Synonyms:
α-D-Glucopyranose,2-deoxy-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-,1-(dihydrogen phosphate) 3-[(3R)-3-hydroxytetradecanoate];α-D-Glucopyranose,2-deoxy-2-[(3-hydroxy-1-oxotetradecyl)amino]-,1-(dihydrogen phosphate) 3-(3-hydroxytetradecanoate),[2(R),3(R)]-;610283-17-5
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CAS No:
Description
Lipid X is an N-acyl-D-glucosamine 1-phosphate where the N-acyl group is (R)-3-hydroxytetradecanoyl and carrying an additional (R)-3-hydroxytetradecanoyl group at the 3-position. It has a role as an Escherichia coli metabolite. It is a conjugate acid of a lipid X(2-).
α-D-Glucopyranose, 2-deoxy-2-[[(3R)-3-hydroxy-1-oxotetradecyl]amino]-, 1-(dihydrogen phosphate) 3-[(3R)-3-hydroxytetradecanoate] Basic Attributes
711.9 g/mol
711.86
Computed Properties
Molecular Weight:711.9
XLogP3:7.2
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:30
Exact Mass:711.43226354
Monoisotopic Mass:711.43226354
Topological Polar Surface Area:212
Heavy Atom Count:48
Complexity:890
Defined Atom Stereocenter Count:7
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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