Nonyl beta-D-glucopyranoside

HCID 155448

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Basic information

CAS: 69984-73-2
Standard SMILES: CCCCCCCCCO[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIKey: QFAPUKLCALRPLH-UXXRCYHCSA-N
Molecular formula: C15H30O6
Average molar mass: 306.39 g/mol
Monoisotopic mass: 306.20423867

Names & identifiers

Preferred name: Nonyl beta-D-glucopyranoside
IUPAC: (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-nonoxyoxane-3,4,5-triol
English name: N-NONYL-BETA-D-GLUCOPYRANOSIDE
Molecular formula: C15H30O6
Molecular weight: 306.4

Names & synonyms

Nonyl beta-D-glucopyranosideB-Nonylglucosidebeta-D-Glucopyranoside, nonylDTXSID501312382(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(nonyloxy)oxane-3,4,5-triolQ5TS785PG5.beta.-D-Glucopyranoside, nonylRefChem:854643DTXCID801742180615-042-069984-73-2Nonyl |A-D-glucopyranoside

Show more names

N-NONYL-BETA-D-GLCn-nonyl--D-glucosiden-Nonyl-b-D-glucosiden-nonyl-β-D-glucosideN-NONYL-BETA-D-GLUCOSIDENonylb-D-glucopyranosideNonyl β-D-glucopyranosideNONYL-SS-D-GLUCOPYRANOSIDEβ-D-Glucopyranoside, nonyl

b-D-Glucopyranoside, nonyl(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-(nonyloxy)tetrahydro-2H-pyran-3,4,5-triolMFCD00063300(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-nonoxyoxane-3,4,5-triolNONYL-beta-D-GLUCOPYRANOSIDE4gby4gbzC15H30O6

Database identifiers

CAS: 69984-73-2
PubChem CID: 155448
DTXSID: DTXSID501312382
ChEMBL: CHEMBL490225
UNII: Q5TS785PG5
EC Number: 615-042-0
Nikkaji: J278.583H

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 99.4 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 6
Rotatable bonds: 10
Heavy atoms: 21
Formal charge: 0
Complexity: 263

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Melting point: 70 °C · 70°C(lit.)
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
solubility: soluble in Methanol
form: Powder
color: White to Off-white
Water Solubility: 250 mg/mL · water: 250mg/mL
BRN: 12168 · 12168
InChI: InChI=1/C15H30O6/c1-2-3-4-5-6-7-8-9-20-15-14(19)13(18)12(17)11(10-16)21-15/h11-19H,2-10H2,1H3/t11-,12-,13+,14-,15-/s3
InChIKey: QFAPUKLCALRPLH-UXXRCYHCSA-N
SMILES: [C@H]1(OCCCCCCCCC)[C@H](O)[C@H]([C@H](O)[C@@H](CO)O1)O |&1:0,11,13,14,16,r|
UNSPSC Code: 12352200 · 12352200
NACRES: 25 · NA.25
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: Xi,C,F
Risk Statements: 36 · 36/37/38-34-11
Safety Statements: 26 · 26-36-45-36/37/39-16
WGK Germany: 3 · 3
F: 3 · 3-9
HS Code: 29400090 · 29400090
Storage Class: 11 · 11 - Combustible Solids

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationChemical: .beta.-D-Glucopyranoside, nonyl

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

F: 3-9
wgk: 3
hs_code: 29400090
risk_code: 36/37/38-34-11
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi,C,F
safety_code: 26-36-45-36/37/39-16
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Applications

Usesn-Nonyl-beta-D-glucopyranoside is a nonionic surfactant.

Upstream & downstream products

Upstream raw materials

Suppliers101 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

湖北永阔科技有限公司027-59223108 15972152991 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

湖北万得化工有限公司15377098680 15377098680 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Related reactions

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Compound notes

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