Cas no 18865-46-8 (ACTINOMYCIN XOA)
ACTINOMYCIN XOA structure
Product Name:ACTINOMYCIN XOA
CAS No:18865-46-8
MF:C62H86N12O17
MW:1271.4164557457
CID:151837
PubChem ID:197972
Update Time:2025-04-19
ACTINOMYCIN XOA Chemical and Physical Properties
Names and Identifiers
-
- Actinomycin D,3A-[(4R)-4-hydroxy-L-proline]- (9CI)
- ACTINOMYCIN X0BETA
- 2-amino-N~1~-[17-hydroxy-2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-4,6-dimethyl-3-oxo-N~9~-[2,5,9-trimethyl-1,4,7,11,14-pentaoxo-6,13-di(propan-2-yl)hexadecahydro-1H-pyrrolo[2,1-i][1,4,7,10,13]oxatetraazacyclohexadecin-10-yl]-3H-phen
- 3(sup A)-(4-Hydroxy-L-proline)actinomycin D
- Actinomycin D, 3(sup A)-(4-hydroxy-L-proline)-
- actinomycinx0(beta)
- 3(supa)-(4-hydroxy-l-proline)-actinomycin
- ACTINOMYCIN I FROM STREPTOMYCESANTIBIOTI CUS
- 3(supa)-(4-hydroxy-l-proline)actinomycind
- 3A-[(4S)-4-Hydroxy-L-proline]actinomycin D
- J-012161
- Actinomycin X0(beta)
- DTXSID501346868
- Actinomycin XO .delta.
- Actinomycin XO .beta.
- 18865-46-8
- 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
- 67541-75-7
- NSC 241534
- Actinomycin D, 3(A)-(cis-4-hydroxy-L-proline)-
- ACTINOMYCIN XOA
- Actinomycin X0(delta)
- MEGxm0_000457
- NSC-241536
- NSC241534
- Actinomycin I from Streptomyces antibioticus
- NSC-241534
- 3(sup A)-(cis-4-Hydroxy-L-proline)actinomycin D
- Actinomycin D, 3(sup A)-(cis-4-hydroxy-L-proline)-
- NSC241536
- Actinomycin D, 3'-(4-hydroxy-L-proline)-
- ACTINOMYCIN XOB
- ACon0_000470
-
- Inchi: 1S/C62H86N12O17/c1-26(2)42-59(85)73-21-17-18-36(73)57(83)69(13)24-38(76)71(15)48(28(5)6)61(87)89-32(11)44(55(81)65-42)67-53(79)35-20-19-30(9)51-46(35)64-47-40(41(63)50(78)31(10)52(47)91-51)54(80)68-45-33(12)90-62(88)49(29(7)8)72(16)39(77)25-70(14)58(84)37-22-34(75)23-74(37)60(86)43(27(3)4)66-56(45)82/h19-20,26-29,32-34,36-37,42-45,48-49,75H,17-18,21-25,63H2,1-16H3,(H,65,81)(H,66,82)(H,67,79)(H,68,80)
- InChI Key: NHBSPDCGDJCFKE-UHFFFAOYSA-N
- SMILES: OC1CN2C(C(C(C)C)NC(C(C(C)OC(C(C(C)C)N(C)C(CN(C)C(C2C1)=O)=O)=O)NC(C1=C(C(C(C)=C2C1=NC1=C(C(C)=CC=C1C(NC1C(C)OC(C(C(C)C)N(C)C(CN(C)C(C3CCCN3C(C(C(C)C)NC1=O)=O)=O)=O)=O)=O)O2)=O)N)=O)=O)=O
Computed Properties
- Exact Mass: 1270.62388
- Monoisotopic Mass: 1270.623
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 6
- Hydrogen Bond Acceptor Count: 19
- Heavy Atom Count: 91
- Rotatable Bond Count: 8
- Complexity: 3070
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 11
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 376?2
Experimental Properties
- Density: 1.44
- Boiling Point: 1410.5°C at 760 mmHg
- Flash Point: 806.8°C
- Refractive Index: 1.661
- PSA: 375.77
- LogP: 1.60640
ACTINOMYCIN XOA Security Information
- Hazardous Material transportation number:UN 2811 6.1/PG 2
- WGK Germany:3
- Hazard Category Code: 45-46-61-26/27/28
- Safety Instruction: 53-22-36/37/39-45
- RTECS:AU1599333
-
Hazardous Material Identification:
- Storage Condition:2-8°C
ACTINOMYCIN XOA Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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