Structure Info
- Chemspace ID
- CSSB02495363026 (In-Stock Building Blocks)
- MFCD
- MFCD05664587
- IUPAC Name
- (1S,2R,18R,22S,25R,28R,40R)-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-47,49-dichloro-2,18,32,35,37-pentahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2³,⁶.2¹⁴,¹⁷.1⁸,¹².1²⁹,³³.0¹⁰,²⁵.0³⁴,³⁹]pentaconta-3,5,8(48),9,11,14,16,29,31,33(45),34,36,38,46,49-pentadecaene-40-carboxylic acid
- Mol formula
- C66H75Cl2N9O24
- Mol weight
- 1449 Da
- Catalog Number(s)
- AA00IUIN, AG00IULF, AI79259, AOS00IULF, AQ79259, AR00IVAF
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- -4.39
- Heavy atoms count
- 101
- Rotatable bond count
- 13
- Number of rings
- 10
- Carbon bond saturation, Fsp3
- 0.424
- Polar surface area (Å)
- 530
- Hydrogen bond acceptors count
- 24
- Hydrogen bond donors count
- 19
- Zoom the structure
- CSSB02495363026
Items Overall 11 items from 2 suppliers
Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
---|---|---|---|---|---|---|
AA BLOCKS | 12 days | United States To: | 90 | 100 mg | 22 | |
AA BLOCKS | 12 days | United States To: | 90 | 250 mg | 33 | |
AA BLOCKS | 12 days | United States To: | 90 | 1 g | 79 | |
AA BLOCKS | 12 days | United States To: | 90 | 5 g | 224 | |
AA BLOCKS | 12 days | United States To: | 90 | 10 g | 433 | |
AA BLOCKS | 12 days | United States To: | 90 | 25 g | 722 | |
Description: (1S,2R,18R,22S,25R,28R,40R)-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-5,47-dichloro-2,18,32,35,37-pentahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^{3,6}.2^{14,17}.1^{8,12}.1^{29,33}.0^{10,25}.0^{34,39}]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid; CAS: 1404-90-6 | ||||||
A2B Chem | 12 days | United States To: | 99 | 25 mg | 64 | |
A2B Chem | 12 days | United States To: | 99 | 250 mg | 80 | |
A2B Chem | 12 days | United States To: | 99 | 1 g | 153 | |
A2B Chem | 12 days | United States To: | 99 | 5 g | 680 | |
A2B Chem | 12 days | United States To: | 99 | 25 g | 2,348 | |
Description: (1S,2R,18R,22S,25R,28R,40R)-48-{[(2S,3R,4S,5S,6R)-3-{[(2S,4S,5S,6S)-4-amino-5-hydroxy-4,6-dimethyloxan-2-yl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-22-(carbamoylmethyl)-5,47-dichloro-2,18,32,35,37-pentahydroxy-19-[(2R)-4-methyl-2-(methylamino)pentanamido]-20,23,26,42,44-pentaoxo-7,13-dioxa-21,24,27,41,43-pentaazaoctacyclo[26.14.2.2^{3,6}.2^{14,17}.1^{8,12}.1^{29,33}.0^{10,25}.0^{34,39}]pentaconta-3,5,8(48),9,11,14,16,29(45),30,32,34,36,38,46,49-pentadecaene-40-carboxylic acid; CAS: 1404-90-6 |
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