Basic information
- CAS
178182-49-5- Standard SMILES
COC(=O)c1cc2cc3c(c(O)c2c(=O)o1)O[C@@]1(Oc2c(O)c4c(c(O)c2[C@H]1O[C@H]1C[C@@H](OC)[C@@H](O)[C@H](C)O1)C(=O)C=C(OC)C4=O)[C@H](O)C3- InChIKey
MLFZQFHGXSVTGX-MCTZXALVSA-N- Molecular formula
- C33H30O17
- Average molar mass
- 698.6 g/mol
- Monoisotopic mass
- 698.14829948
Names & identifiers
- Preferred name
- methyl (2R,3R,3'R)-3,4',9',10-tetrahydroxy-3'-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
- IUPAC
- methyl (2R,3R,3'R)-3,4',9',10-tetrahydroxy-3'-[(2S,4R,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-7'-methoxy-5',8',9-trioxospiro[3,4-dihydropyrano[4,3-g]chromene-2,2'-3H-benzo[f][1]benzofuran]-7-carboxylate
- English name
- heliquinomycin
- Molecular formula
- C33H30O17
- Molecular weight
- 698.59
Names & synonyms
178182-49-5orb1693476AKOS040755442HY-105387CS-0025895T36748RubymycinNSC 702208heliquinomycinHeliquinomycin, Antibiotic agentSpiro[benzo[1,2-b:5,4-c']dipyran-2(3H),2'(3'H)-naphtho[2,3-b]furan]-7-carboxylic acid, 3'-[(2,6-dideoxy-3-O-methyl-α-L-ribo-hexopyranosyl)oxy]-4,5',8',9-tetrahydro-3,4',9',10-tetrahydroxy-7'-methoxy-5',8',9-trioxo-, methyl ester, (2R,3R,3'R)-
Database identifiers
- CAS
178182-49-5- PubChem CID
- 11802829
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 243 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 6
- Heavy atoms
- 50
- Formal charge
- 0
- Complexity
- 1,480
Physicochemical properties
- Boiling point
- 966 · 966.0±65.0 °C(Predicted)
- Density
- 1.72 · 1.72±0.1 g/cm3(Predicted)
- storage temp.
- 4 °C · 4°C
- solubility
- DMSO: soluble; Ethanol: soluble
- form
- A solid
- pka
- 5.93 · 5.93±0.70(Predicted)
- color
- Red
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302+H312-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312-P302+P352-P305+P351+P338-P321-P330-P362+P364-P337+P313-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302+H312-H319
- Precautionary statements
- P264-P270-P280-P301+P312-P302+P352-P305+P351+P338-P321-P330-P362+P364-P337+P313-P501
Chemistry & industry
Applications
UsesHeliquinomycin is a DNA helicase inhibitor.
Suppliers9 total
Shaanxi Cuikang Pharmaceutical Technology Co., Ltd+86-13119157289 · [email protected]
Aladdin Scientific[email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海同田生物技术有限公司021-51320588 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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