[2-[2-[2-[[6-amino-2-[1-[(2-amino-2-carbamoyl-ethyl)amino]-2-carbamoyl -ethyl]-5-methyl-pyrimidine-4-carbonyl]amino]-2-[[3-hydroxy-4-[[2-hydr oxy-1-[2-[4-[4-[2-(3H-imidazol-4-yl)ethylcarbamoyl]-1,3-thiazol-2-yl]- 1,3-thiazol-2-yl]ethylcarbamoyl]propyl]carbamoyl]pentan-2-yl]carbamoyl ]-1-(3H-imidazol-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl ]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate (CAS 62960-69-4) — formula C55H79N19O21S2, molecular weight 1406.5; category organic chemicals.
| CAS Number | 62960-69-4 |
|---|---|
| Molecular Formula | C55H79N19O21S2 |
| Molecular Weight | 1406.5 |
| LogP | -8.4 |
| Category | Organic Chemicals |
[2-[2-[2-[[6-amino-2-[1-[(2-amino-2-carbamoyl-ethyl)amino]-2-carbamoyl -ethyl]-5-methyl-pyrimidine-4-carbonyl]amino]-2-[[3-hydroxy-4-[[2-hydr oxy-1-[2-[4-[4-[2-(3H-imidazol-4-yl)ethylcarbamoyl]-1,3-thiazol-2-yl]- 1,3-thiazol-2-yl]ethylcarbamoyl]propyl]carbamoyl]pentan-2-yl]carbamoyl ]-1-(3H-imidazol-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl ]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate is a carbon-based organic compound with CAS registry number 62960-69-4 and molecular formula C55H79N19O21S2 (molecular weight 1406.5), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 62960-69-4
Its molecular formula C55H79N19O21S2 comprises 55 C, 79 H, 19 N, 21 O, 2 S atoms.
Also known as: [2-[2-[2-[[6-amino-2-[1-[(2-amino-2-carbamoyl-ethyl)amino]-2-carbamoyl -ethyl]-5-methyl-pyrimidine-4-carbonyl]amino]-2-[[3-hydroxy-4-[[2-hydr oxy-1-[2-[4-[4-[2-(3H-imidazol-4-yl)ethylcarbamoyl]-1,3-thiazol-2-yl]- 1,3-thiazol-2-yl]ethylcarbamoyl]propyl]carbamoyl]pentan-2-yl]carbamoyl ]-1-(3H-imidazol-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl ]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate · [2-[2-[2-[[6-氨基-2-[1-[(2-氨基-2-氨基甲酰基-乙基)氨基]-2-氨基甲酰基-乙基]-5-甲基-嘧啶-4-羰基]氨基]-2-[[3-羟基-4-[[2-氢]氧基-1-[2-[4-[4-[2-(3H-咪唑-4-基)乙基氨基甲酰基]-1,3-噻唑-2-基]-1,3-噻唑-2-基]乙基氨基甲酰基]丙基]氨基甲酰基]戊-2-基]氨基甲酰基]-1-(3H-咪唑-4-基)乙氧基]-4,5-二羟基-6-(羟甲基)氧杂环己烷-3-基]氧基-3,5-二羟基-6-(羟甲基)氧杂环己烷-4-基]氨基甲酸酯
Category: organic chemicals
The CAS registry number of [2-[2-[2-[[6-amino-2-[1-[(2-amino-2-carbamoyl-ethyl)amino]-2-carbamoyl -ethyl]-5-methyl-pyrimidine-4-carbonyl]amino]-2-[[3-hydroxy-4-[[2-hydr oxy-1-[2-[4-[4-[2-(3H-imidazol-4-yl)ethylcarbamoyl]-1,3-thiazol-2-yl]- 1,3-thiazol-2-yl]ethylcarbamoyl]propyl]carbamoyl]pentan-2-yl]carbamoyl ]-1-(3H-imidazol-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl ]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate is 62960-69-4.
Molecular formula C55H79N19O21S2, molecular weight 1406.5.
It is also registered under: [2-[2-[2-[[6-amino-2-[1-[(2-amino-2-carbamoyl-ethyl)amino]-2-carbamoyl -ethyl]-5-methyl-pyrimidine-4-carbonyl]amino]-2-[[3-hydroxy-4-[[2-hydr oxy-1-[2-[4-[4-[2-(3H-imidazol-4-yl)ethylcarbamoyl]-1,3-thiazol-2-yl]- 1,3-thiazol-2-yl]ethylcarbamoyl]propyl]carbamoyl]pentan-2-yl]carbamoyl ]-1-(3H-imidazol-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl ]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate, [2-[2-[2-[[6-氨基-2-[1-[(2-氨基-2-氨基甲酰基-乙基)氨基]-2-氨基甲酰基-乙基]-5-甲基-嘧啶-4-羰基]氨基]-2-[[3-羟基-4-[[2-氢]氧基-1-[2-[4-[4-[2-(3H-咪唑-4-基)乙基氨基甲酰基]-1,3-噻唑-2-基]-1,3-噻唑-2-基]乙基氨基甲酰基]丙基]氨基甲酰基]戊-2-基]氨基甲酰基]-1-(3H-咪唑-4-基)乙氧基]-4,5-二羟基-6-(羟甲基)氧杂环己烷-3-基]氧基-3,5-二羟基-6-(羟甲基)氧杂环己烷-4-基]氨基甲酸酯.
Category: Organic Chemicals.
Independent reference data for [2-[2-[2-[[6-amino-2-[1-[(2-amino-2-carbamoyl-ethyl)amino]-2-carbamoyl -ethyl]-5-methyl-pyrimidine-4-carbonyl]amino]-2-[[3-hydroxy-4-[[2-hydr oxy-1-[2-[4-[4-[2-(3H-imidazol-4-yl)ethylcarbamoyl]-1,3-thiazol-2-yl]- 1,3-thiazol-2-yl]ethylcarbamoyl]propyl]carbamoyl]pentan-2-yl]carbamoyl ]-1-(3H-imidazol-4-yl)ethoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl ]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl] carbamate (CAS 62960-69-4), compiled from public chemistry databases.
| CAS 号 | 62960-69-4 |
|---|---|
| PubChem CID | 84064 |
| 分子式 | C55H79N19O21S2 |
| Molecular Weight | 1406.5 |
|---|---|
| XLogP3 | -8.4 |
| Hydrogen Bond Donor Count | 21 |
| Hydrogen Bond Acceptor Count | 32 |
| Rotatable Bond Count | 35 |
| Exact Mass | 1405.51393295 |
| Monoisotopic Mass | 1405.51393295 |
| Topological Polar Surface Area | 712 |
| Heavy Atom Count | 97 |
博莱霉素A'2-C； 62960-69-4； CCRIS 1258； N1-(2-(1H-咪唑-4-基)乙基)博来霉素酰胺；博莱霉素酰胺，N1-(2-(1H-咪唑-4-基)乙基)-； DTXSID001031610
[2-[2-[2-[[6-氨基-2-[1-[(2-氨基-2-氨基甲酰基-乙基)氨基]-2-氨基甲酰基-乙基]-5-甲基-嘧啶-4-羰基]氨基]-2-[[3-羟基-4-[[2-氢]氧基-1-[2-[4-[4-[2-(3H-咪唑-4-基)乙基氨基甲酰基]-1,3-噻唑-2-基]-1,3-噻唑-2-基]乙基氨基甲酰基]丙基]氨基甲酰基]戊-2-基]氨基甲酰基]-1-(3H-咪唑-4-基)乙氧基]-4,5-二羟基-6-(羟甲基)氧杂环己烷-3-基]氧基-3,5-二羟基-6-(羟甲基)氧杂环己烷-4-基]氨基甲酸酯 · CAS 62960-69-4 · C55H79N19O21S2.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.