Morusimic acid A

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CAS Number

455949-42-5

UNSPSC Description

Morusimic acid A is an amino acid, which can be isolated from Morus alba[1].

Target Antigen

Others

Type

Natural Products

Related Pathways

Others

Field of Research

Others

Assay Protocol

https://www.medchemexpress.com/morusimic-acid-a.html

Smiles

C[C@H](O)[C@@](CC1)([H])N[C@H]1CCCCCCCCC[C@H](CC(O)=O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O)CO

Molecular Weight

491.62

References & Citations

[1]Kusano G, et al., Five new nortropane alkaloids and six new amino acids from the fruit of Morus alba LINNE growing in Turkey. Chem Pharm Bull (Tokyo). 2002 Feb;50(2):185-92.

Shipping Conditions

Room temperature

Clinical Information

No Development Reported

Chemical Information

Morusimic acid A

Morusimic acid A has been reported in Morus alba with data available.

CAS Number	455949-42-5
PubChem CID	11733698
IUPAC Name	(3R)-12-[(2S,5S)-5-[(1S)-1-hydroxyethyl]pyrrolidin-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxydodecanoic acid
Molecular Formula	C24H45NO9
Molecular Weight	491.6
XLogP	-0.7
Topological Polar Surface Area	169
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	16
Heavy Atom Count	34
Formal Charge	0
Complexity	581

SMILES

C[C@@H]([C@@H]1CC[C@@H](N1)CCCCCCCCC[C@H](CC(=O)O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O

InChI

InChI=1S/C24H45NO9/c1-15(27)18-12-11-16(25-18)9-7-5-3-2-4-6-8-10-17(13-20(28)29)33-24-23(32)22(31)21(30)19(14-26)34-24/h15-19,21-27,30-32H,2-14H2,1H3,(H,28,29)/t15-,16-,17+,18-,19+,21+,22-,23+,24+/m0/s1

InChIKey

FRFNBNWFTRGFNL-CWUQZJOTSA-N

Chemical Structure

2D Structure

CAS: 455949-42-5

CID: 11733698

Formula: C24H45NO9

MW: 491.6

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	491.6
XLogP3	-0.7
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	16
Exact Mass	491.30943201
Monoisotopic Mass	491.30943201
Topological Polar Surface Area	169 Å²
Heavy Atom Count	34
Formal Charge	0
Complexity	581
Isotope Atom Count	0
Defined Atom Stereocenter Count	9
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Morusimic acid A

Chemical Information

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