Basic information
- CAS
74405-46-2- Standard SMILES
COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)C[C@@H]2OC(=O)CCC(=O)O)(c2ccccc2)c2ccc(OC)cc2)cc1- InChIKey
XQFLSGUZSODAOB-OJDZSJEKSA-N- Molecular formula
- C39H41N5O10
- Average molar mass
- 739.8 g/mol
- Monoisotopic mass
- 739.28534252
Names & identifiers
- Preferred name
- 5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-N-(2-methyl-1-oxopropyl)guanosine 3'-(hydrogen butanedioate)
- IUPAC
- 4-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-4-oxobutanoic acid
- English name
- iBu-DMT-deoxyguanosine succinic acid
- Molecular formula
- C39H41N5O10
- Molecular weight
- 739.77
Names & synonyms
EINECS 277-854-85'-O-(Bis(4-methoxyphenyl)phenylmethyl)-2'-deoxy-N-(2-methyl-1-oxopropyl)guanosine 3'-(hydrogen butanedioate)5'-O-[bis(4-methoxyphenyl)phenylmethyl]-2'-deoxy-N-(2-methyl-1-oxopropyl)guanosine 3'-(hydrogen butanedioate)RefChem:527510277-854-874405-46-2IBU-DMT-Deoxyguanosine succinic acid2'-Deoxy-5'-O-DMT-N2-isobutyrylguanosine 3'-O-succinate4-[(2R,3S,5R)-2-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-5-[2-(2-methylpropanoylamino)-6-oxo-1H-purin-9-yl]oxolan-3-yl]oxy-4-oxobutanoic acidSCHEMBL5133061XQFLSGUZSODAOB-OJDZSJEKSA-N2'-Deoxy-5'-O-DMT-N2-isobutyryl-D-guanosine 3'-O-succinate
Show more names
5'-O-DMT-N2-ibu-3'-O-Succinic-dG5'-O-DMT-2'-dG(iBu)-3'-O-succinate, TEA salt5'-O-DMT-N2-isobutyrylguanosine3'-O-succinateN2-iso-Butyroyl-2’-deoxy-5’-O-(4,4’-dimethoxytrityl)guanosine 3’-O-succinate5'-O-(4,4'-DIMETHOXYTRITYL)-N2-ISOBUTYRYL-2'-DEOXYGUANOSINE-3'-O-SUCCINIC ACID
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 189 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 16
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,320
Physicochemical properties
- storage temp.
- 20 °C · −20°C
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 315 · H315-H311-H331-H301-H319-H335
- Precautionary statements
- 261 · P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25-36/37/38
- Safety Statements
- 22 · 22-26-36-45
- WGK Germany
- 3 · 3
- HS Code
- 29349990 · 29349990
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+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. 3 (100%)
Safety data
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 23/24/25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 22-26-36-45
- Hazard statements
- H315-H311-H331-H301-H319-H335
- Precautionary statements
- P261-P271-P304+P340-P311-P321-P403+P233-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Applications
Uses2''-Deoxy-5''-O-DMT-N2-isobutyrylguanosine 3''-O-succinate is a nucleoside used in the synthetic preparation of DNA fragments, such as small-molecule/DNA hybrids via amide coupling. 2''-Deoxy-5''-O-DMT-N2-isobutyrylguanosine 3''-O-succinate can also be used as a solid phase support for oligonucleotide synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers14 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海志甾生物科技有限公司18156046398 · [email protected]
攀纳燊（河南）医药科学技术有限公司0371-65325800 13700860222 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
Shanxi Tihondan Pharmaceutical Technology Co., Ltd+8618235132063 · [email protected]
杭州六可生物科技有限公司+86-571-86912261 19975279805 · [email protected]
BOC Sciences16314854226 · [email protected]
苏州美诺医药科技有限公司0512-69561983 13914027025 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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