2-hydroxypropane-1,2,3-tricarboxylic acid; [(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate | C43H58N2O17 | MFCD00153837 | OC(=O)CC(O)(CC(O)=O)C(O)=O.CCN1C[C@]2(COC(=O)C3=CC=CC=C3N3C(=O)C[C@H](C)C3=O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@@](O)([C@@H](OC)[C@H]23)C14 | 112825-05-5, 115143, ACM112825055, AG008Y43, AGN-PC-0P40J0, AP112825055, G12422, LN04907673, MEA82505 | Chemspace

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Home CSCS02125551417

Structure Info

Chemspace ID: CSCS02125551417 (Synthesis)

MFCD: MFCD00153837

IUPAC Name: 2-hydroxypropane-1,2,3-tricarboxylic acid; [(1S,2R,3R,4S,5R,6S,8R,9S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7.7.2.1²,⁵.0¹,¹⁰.0³,⁸.0¹³,¹⁷]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate

Mol formula: C₄₃H₅₈N₂O₁₇

Mol weight: 875 Da

Catalog Number(s): 112825-05-5, 115143, ACM112825055, AG008Y43, AGN-PC-0P40J0, AP112825055, G12422, LN04907673, MEA82505

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INCHI
INCHI key
MOL

Properties
SDS

Properties

LogP: 0.52

Heavy atoms count: 62

Rotatable bond count: 15

Number of rings: 8

Carbon bond saturation, Fsp3: 0.72

Polar surface area (Å): 144

Hydrogen bond acceptors count: 10

Hydrogen bond donors count: 2

: Zoom the structure; CSCS02125551417

Items Overall 6 items from 4 suppliers

Supplier	Lead time	Ships from	Purity	Pack	Price, €	Qty
Biosynth	30 days	United Kingdom To:	95	25 mg	238	Go to cart Enquire
Biosynth	30 days	United Kingdom To:	95	50 mg	396	Go to cart Enquire
Biosynth	30 days	United Kingdom To:	95	100 mg	660	Go to cart Enquire
Description: Melycaconitine citrate; CAS: 112825-05-5
Alfa Chemistry	TBD	United States To:	95	1 g	POA	Go to cart Enquire
Description: CAS: 112825-05-5
Alfa Chemistry Analytical Products	TBD	United States To:	95	1 g	POA	Go to cart Enquire
BOC Sciences	TBD	United States To:	95	1 g	POA	Go to cart Enquire
Description: CAS: 112825-05-5

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