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Lycopodium

CAT: 0286-L05320Size: 100 gDry Ice: NoHazardous: Yes
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CAT#:0286-L05320Size:100 g
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CAS Number
8023-70-9
UN Code
UN1325
Pictogram
02 - Flammable; 07 - Irritant
UDF Signal Word
Danger
MDL Number
MFCD00147485
Hazard Statement
H228 Flammable solid; H302 Harmful if swallowed; H312 Harmful in contact with skin; H315 Causes skin irritation; H319 Causes serious eye irritation; H332 Harmful if inhaled.
DOT Name
Flammable Solids, Organic, N.O.S.
DOT Classification
Class 4.1
Packaging Group
PGII
Precautions
P210 Keep away from heat/sparks/open flames/hot surfaces. — No smoking; P240 Ground/bond container and receiving equipment; P280 Wear protective gloves/protective clothing/eye protection/face protection; P301+P312 IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell; P302+P352 IF ON SKIN: wash with plenty of soap and water; P304+P340 IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing; P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing; P332+P313 IF SKIN irritation occurs: Get medical advice/attention.

Chemical Information

26,35-dihydroxy-17-[2-[4-hydroxy-3-(2-hydroxyethoxy)phenyl]ethyl]-36-methoxy-3'-(1H-pyrrolo[3,2-b]pyrrol-4-ylmethyl)spiro[16-oxa-3-azaheptacyclo[19.11.6.02,10.04,9.022,31.023,28.033,38]octatriaconta-1(32),2(10),4,6,8,33,35,37-octaen-12-yne-29,1'-cyclopentane]-15,19-dione

See also: Lycopodium (powder) (annotation moved to).

CAS Number8023-70-9
PubChem CID162941839
IUPAC Name26,35-dihydroxy-17-[2-[4-hydroxy-3-(2-hydroxyethoxy)phenyl]ethyl]-36-methoxy-3'-(1H-pyrrolo[3,2-b]pyrrol-4-ylmethyl)spiro[16-oxa-3-azaheptacyclo[19.11.6.02,10.04,9.022,31.023,28.033,38]octatriaconta-1(32),2(10),4,6,8,33,35,37-octaen-12-yne-29,1'-cyclopentane]-15,19-dione
Molecular FormulaC58H63N3O9
Molecular Weight946.1
XLogP8.1
Topological Polar Surface Area179
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Heavy Atom Count70
Formal Charge0
Complexity1950
SMILES
COC1=C(C=C2C3=CC4CC5(CCC(C5)CN6C=CC7=C6C=CN7)C8CC(CCC8C4C(C2=C1)CC(=O)CC(OC(=O)CC#CCC9=C3NC1=CC=CC=C91)CCC1=CC(=C(C=C1)O)OCCO)O)O
InChI
InChI=1S/C58H63N3O9/c1-68-53-30-44-43(29-52(53)66)46-25-36-32-58(19-16-35(31-58)33-61-21-18-49-50(61)17-20-59-49)47-28-37(63)12-14-42(47)56(36)45(44)27-38(64)26-39(13-10-34-11-15-51(65)54(24-34)69-23-22-62)70-55(67)9-5-3-7-41-40-6-2-4-8-48(40)60-57(41)46/h2,4,6,8,11,15,17-18,20-21,24-25,29-30,35-37,39,42,45,47,56,59-60,62-63,65-66H,7,9-10,12-14,16,19,22-23,26-28,31-33H2,1H3
InChIKey
GDOJDJJOSBIYKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 26,35-dihydroxy-17-[2-[4-hydroxy-3-(2-hydroxyethoxy)phenyl]ethyl]-36-methoxy-3'-(1H-pyrrolo[3,2-b]pyrrol-4-ylmethyl)spiro[16-oxa-3-azaheptacyclo[19.11.6.02,10.04,9.022,31.023,28.033,38]octatriaconta-1(32),2(10),4,6,8,33,35,37-octaen-12-yne-29,1'-cyclopentane]-15,19-dione
CAS: 8023-70-9
CID: 162941839
Formula: C58H63N3O9
MW: 946.1
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight946.1
XLogP38.1
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count9
Rotatable Bond Count9
Exact Mass945.45643060
Monoisotopic Mass945.45643060
Topological Polar Surface Area179 Ų
Heavy Atom Count70
Formal Charge0
Complexity1950
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count9
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes