[[[5-[2,4-dioxo-5-[(E)-3-[3-[2-[5-(7-oxo-3-thia-6,8-diazabicyclo[3.3.0 ]oct-2-yl)pentanoylamino]ethyldisulfanyl]propanoylamino]prop-1-enyl]py rimidin-1-yl]-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hyd roxy-phosphoryl]oxyphosphonic acid (CAS 97068-12-7) — formula C27H43N6O17P3S3, molecular weight 912.8; category organic chemicals.
| CAS Number | 97068-12-7 |
|---|---|
| Molecular Formula | C27H43N6O17P3S3 |
| Molecular Weight | 912.8 |
| LogP | -4.9 |
| Category | Organic Chemicals |
[[[5-[2,4-dioxo-5-[(E)-3-[3-[2-[5-(7-oxo-3-thia-6,8-diazabicyclo[3.3.0 ]oct-2-yl)pentanoylamino]ethyldisulfanyl]propanoylamino]prop-1-enyl]py rimidin-1-yl]-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hyd roxy-phosphoryl]oxyphosphonic acid is a carbon-based organic compound with CAS registry number 97068-12-7 and molecular formula C27H43N6O17P3S3 (molecular weight 912.8), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 97068-12-7
Its molecular formula C27H43N6O17P3S3 comprises 27 C, 43 H, 6 N, 17 O, 3 P, 3 S atoms.
Also known as: [[[5-[2,4-dioxo-5-[(E)-3-[3-[2-[5-(7-oxo-3-thia-6,8-diazabicyclo[3.3.0 ]oct-2-yl)pentanoylamino]ethyldisulfanyl]propanoylamino]prop-1-enyl]py rimidin-1-yl]-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hyd roxy-phosphoryl]oxyphosphonic acid · [[[5-[2,4-二氧代-5-[(E)-3-[3-[2-[5-(7-氧代-3-硫杂-6,8-二氮杂双环[3.3.0]辛-2-基)戊酰氨基]乙基二硫基]丙酰氨基]丙-1-烯基]py嘧啶-1-基]-3-羟基-四氢呋喃-2-基]甲氧基-羟基-磷酰基]氧基-羟基-磷酰基]氧基膦酸
Category: organic chemicals
The CAS registry number of [[[5-[2,4-dioxo-5-[(E)-3-[3-[2-[5-(7-oxo-3-thia-6,8-diazabicyclo[3.3.0 ]oct-2-yl)pentanoylamino]ethyldisulfanyl]propanoylamino]prop-1-enyl]py rimidin-1-yl]-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hyd roxy-phosphoryl]oxyphosphonic acid is 97068-12-7.
Molecular formula C27H43N6O17P3S3, molecular weight 912.8.
It is also registered under: [[[5-[2,4-dioxo-5-[(E)-3-[3-[2-[5-(7-oxo-3-thia-6,8-diazabicyclo[3.3.0 ]oct-2-yl)pentanoylamino]ethyldisulfanyl]propanoylamino]prop-1-enyl]py rimidin-1-yl]-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hyd roxy-phosphoryl]oxyphosphonic acid, [[[5-[2,4-二氧代-5-[(E)-3-[3-[2-[5-(7-氧代-3-硫杂-6,8-二氮杂双环[3.3.0]辛-2-基)戊酰氨基]乙基二硫基]丙酰氨基]丙-1-烯基]py嘧啶-1-基]-3-羟基-四氢呋喃-2-基]甲氧基-羟基-磷酰基]氧基-羟基-磷酰基]氧基膦酸.
Category: Organic Chemicals.
Independent reference data for [[[5-[2,4-dioxo-5-[(E)-3-[3-[2-[5-(7-oxo-3-thia-6,8-diazabicyclo[3.3.0 ]oct-2-yl)pentanoylamino]ethyldisulfanyl]propanoylamino]prop-1-enyl]py rimidin-1-yl]-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hyd roxy-phosphoryl]oxyphosphonic acid (CAS 97068-12-7), compiled from public chemistry databases.
| CAS 号 | 97068-12-7 |
|---|---|
| PubChem CID | 6436408 |
| 分子式 | C27H43N6O17P3S3 |
| IUPAC 名称 | [[5-[2,4-dioxo-5-[(E)-3-[3-[2-[5-(2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl)pentanoylamino]ethyldisulfanyl]propanoylamino]prop-1-enyl]pyrimidin-1-yl]-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl] phosphono hydrogen phosphate |
| Molecular Weight | 912.8 |
|---|---|
| XLogP3 | -4.9 |
| Hydrogen Bond Donor Count | 10 |
| Hydrogen Bond Acceptor Count | 20 |
| Rotatable Bond Count | 23 |
| Exact Mass | 912.10596844 |
| Monoisotopic Mass | 912.10596844 |
| Topological Polar Surface Area | 414 |
| Heavy Atom Count | 56 |
Bio-12-SS-dutp; Biotin-12-SS-dutp; 97068-12-7; RefChem:119876
[[[5-[2,4-二氧代-5-[(E)-3-[3-[2-[5-(7-氧代-3-硫杂-6,8-二氮杂双环[3.3.0]辛-2-基)戊酰氨基]乙基二硫基]丙酰氨基]丙-1-烯基]py嘧啶-1-基]-3-羟基-四氢呋喃-2-基]甲氧基-羟基-磷酰基]氧基-羟基-磷酰基]氧基膦酸 · CAS 97068-12-7 · C27H43N6O17P3S3.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.