Raffinose undecylacetate 98%

CAT: 0286-R00075-01Size: 5 gDry Ice: NoHazardous: No

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CAS Number

6424-12-0

Pictogram

07 - Irritant

UDF Signal Word

Warning

MDL Number

MFCD00047544

Hazard Statement

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

Not D.O.T.-Regulated

Precautions

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

Raffinose undecaacetate

CAS Number	6424-12-0
PubChem CID	3083963
IUPAC Name	[3,4,5-triacetyloxy-6-[[3,4,5-triacetyloxy-6-[3,4-diacetyloxy-2,5-bis(acetyloxymethyl)oxolan-2-yl]oxyoxan-2-yl]methoxy]oxan-2-yl]methyl acetate
Molecular Formula	C40H54O27
Molecular Weight	966.8
XLogP	-1.4
Topological Polar Surface Area	335
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	27
Rotatable Bond Count	30
Heavy Atom Count	67
Formal Charge	0
Complexity	1860

SMILES

CC(=O)OCC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3(C(C(C(O3)COC(=O)C)OC(=O)C)OC(=O)C)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C40H54O27/c1-16(41)52-12-27-30(56-19(4)44)33(59-22(7)47)35(61-24(9)49)38(64-27)54-13-28-31(57-20(5)45)34(60-23(8)48)36(62-25(10)50)39(65-28)67-40(15-55-18(3)43)37(63-26(11)51)32(58-21(6)46)29(66-40)14-53-17(2)42/h27-39H,12-15H2,1-11H3

InChIKey

YFYHLVDRBNRNPU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 6424-12-0

CID: 3083963

Formula: C40H54O27

MW: 966.8

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	966.8
XLogP3	-1.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	27
Rotatable Bond Count	30
Exact Mass	966.28524644
Monoisotopic Mass	966.28524644
Topological Polar Surface Area	335 Å²
Heavy Atom Count	67
Formal Charge	0
Complexity	1860
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	14
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Alternative Products

Catalog	Name
30635399-2	Raffinose
C53MR1040-50	Raffinose, RAF
TRC-R730105-1G	D-(+)-Raffinose
sc-482881C	D- (+) -Raffinose

Raffinose undecylacetate 98%

Chemical Information

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