Hygrolidin amide

CAS

90965-59-6

Catalog Number

ACM90965596

Category

Other Products

Molecular Weight

689.88

Molecular Formula

C₃₈H₅₉NO₁₀

MSDS COA Spec Sheet

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Specification

Synonyms

HYGROLIDIN AMIDE;37-(Aminocarbonyl)-37-de(carboxy)hygrolidin;Antibiotic 1166D

What is the molecular formula of Hygrolidin amide according to the reference?

The molecular formula of Hygrolidin amide is C38H59NO10.

When was Hygrolidin amide created and modified?

It was created on January 8, 2016, and modified on December 30, 2023.

What is the molecular weight of Hygrolidin amide?

The molecular weight of Hygrolidin amide is 689.9 g/mol.

What is the IUPAC Name of Hygrolidin amide?

The IUPAC Name is [(2R,4R,5S,6R)-6-ethyl-2-hydroxy-2-[(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9S,10S,11R,12E,14E)-10-hydroxy-3-methoxy-7,9,11,13,15-pentamethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl]-5-methyloxan-4-yl] (E)-4-amino-4-oxobut-2-enoate.

What is the InChI of Hygrolidin amide?

The InChI is InChI=1S/C38H59NO10/c1-11-29-26(7)31(47-33(41)16-15-32(39)40)20-38(45,49-29)28(9)35(43)27(8)36-30(46-10)14-12-13-21(2)17-23(4)34(42)24(5)18-22(3)19-25(6)37(44)48-36/h12-16,18-19,23-24,26-31,34-36,42-43,45H,11,17,20H2,1-10H3,(H2,39,40)/b14-12+,16-15+,21-13+,22-18+,25-19+/t23-,24+,26-,27-,28-,29+,30-,31+,34-,35+,36+,38+/m0/s1.

What are the Canonical and Isomeric SMILES of Hygrolidin amide?

Canonical SMILES: CCC1C(C(CC(O1)(C(C)C(C(C)C2C(C=CC=C(CC(C(C(C=C(C=C(C(=O)O2)C)C)C)O)C)C)OC)O)O)OC(=O)C=CC(=O)N)C
Isomeric SMILES: CC[C@@H]1[C@@H]([C@@H](C[C@@](O1)([C@@H](C)[C@@H]([C@H](C)[C@@H]2[C@H](/C=C/C=C(/C[C@@H]([C@@H]([C@@H](/C=C(/C=C(/C(=O)O2)\C)\C)C)O)C)\C)OC)O)O)OC(=O)/C=C/C(=O)N)C

What is the CAS number of Hygrolidin amide?

The CAS number is 90965-59-6.

What is the XLogP3-AA value for Hygrolidin amide?

The XLogP3-AA value is 5.5.

How many hydrogen bond donor counts does Hygrolidin amide have?

Hygrolidin amide has 4 hydrogen bond donor counts.

What is the topological polar surface area of Hygrolidin amide?

The topological polar surface area is 175 Å2.

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