Basic information
- CAS
18865-46-8- Standard SMILES
Cc1c2oc3c(C)ccc(C(=O)NC4C(=O)NC(C(C)C)C(=O)N5CCCC5C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC4C)c3nc-2c(C(=O)NC2C(=O)NC(C(C)C)C(=O)N3CC(O)CC3C(=O)N(C)CC(=O)N(C)C(C(C)C)C(=O)OC2C)c(N)c1=O- InChIKey
NHBSPDCGDJCFKE-UHFFFAOYSA-N- Molecular formula
- C62H86N12O17
- Average molar mass
- 1,271.4 g/mol
- Monoisotopic mass
- 1,270.62338932
Overview
Actinomycin xoa has been reported in Streptomyces heliomycini and Streptomyces parvulus with data available.
Names & identifiers
- Preferred name
- Actinomycin I from Streptomyces antibioticus
- IUPAC
- 2-amino-1-N-[18-hydroxy-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-9-N-[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide
- English name
- ACTINOMYCIN I FROM STREPTOMYCESANTIBIOTI CUS
- Molecular formula
- C62H86N12O17
- Molecular weight
- 1271.44
Names & synonyms
Actinomycin I from Streptomyces antibioticusRefChem:552899633-768-618865-46-8ACTINOMYCIN XOAActinomycin X0(beta)2-amino-1-N-[18-hydroxy-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-4,6-dimethyl-3-oxo-9-N-[7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide67541-75-7Actinomycin X0(delta)Actinomycin XO .beta.NSC 2415343(sup A)-(4-Hydroxy-L-proline)actinomycin D
Show more names
actinomycinx0(beta)3(supa)-(4-hydroxy-l-proline)actinomycind3(supa)-(4-hydroxy-l-proline)-actinomycinActinomycin D, 3A-[(4R)-4-hydroxy-L-proline]-
3(sup A)-(cis-4-Hydroxy-L-proline)actinomycin DActinomycin D, 3(sup A)-(4-hydroxy-L-proline)-ACTINOMYCIN I FROM STREPTOMYCESANTIBIOTI CUSActinomycin D, 3(sup A)-(cis-4-hydroxy-L-proline)-ACTINOMYCIN XOBActinomycin XO .delta.MEGxm0_000457ACon0_000470
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 376 Ų
- Hydrogen bond donors
- 6
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 8
- Heavy atoms
- 91
- Formal charge
- 0
- Complexity
- 3,070
Physicochemical properties
- Boiling point
- 1410.5 · 1410.5±65.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.93 · 8.93±0.70(Predicted)
- Symbol(GHS)
- 8 · GHS08,GHS06
- Signal word
- Danger
- Hazard statements
- 310 · H310-H300-H330-H360-H350
- Precautionary statements
- 260 · P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
- Hazard Codes
- T+
- Risk Statements
- 45 · 45-46-61-26/27/28
- Safety Statements
- 53 · 53-22-36/37/39-45
- RIDADR
- 2811 · UN 2811 6.1/PG 2
- WGK Germany
- 3 · 3
- RTECS
- 1599333 · AU1599333
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral]
P203, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P318, P320, P321, P330, P361+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 2 (100%)
Safety data
- wgk
- 3
- rtecs
- AU1599333
- ridadr
- UN 2811 6.1/PG 2
- risk_code
- 45-46-61-26/27/28
- Signal word
- Danger
- Symbol(GHS)
- GHS08,GHS06
- hazard_code
- T+
- safety_code
- 53-22-36/37/39-45
- Hazard statements
- H310-H300-H330-H360-H350
- Precautionary statements
- P260-P271-P284-P304+P340-P310-P320-P403+P233-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501-P262-P264-P270-P280-P302+P350-P310-P322-P361-P363-P405-P501
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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