Nystose

CAT: 0926-ON07511-01Size: 0.25 gDry Ice: NoHazardous: No

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CAT#:0926-ON07511-01Size:0.25 g

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CAS Number

13133-07-8

Synonyms

Fungitetraose; Nistose;1,1-Kestotetraose

MDL Number

MFCD00191672

Smiles

C ([C@@H]1[C@H] ([C@@H] ([C@H] ([C@H] (O1) O[C@]2 ([C@H] ([C@@H] ([C@H] (O2) CO) O) O) CO[C@]3 ([C@H] ([C@@H] ([C@H] (O3) CO) O) O) CO[C@]4 ([C@H] ([C@@H] ([C@H] (O4) CO) O) O) CO) O) O) O) O

Molecular Formula

C24H42O21

Molecular Weight

666.58 g/mol

Controlled

Chemical Information

Nystose

Nystose is an oligosaccharide.

CAS Number	13133-07-8
PubChem CID	166775
IUPAC Name	(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
Molecular Formula	C24H42O21
Molecular Weight	666.6
XLogP	-7.4
Topological Polar Surface Area	348
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	13
Heavy Atom Count	45
Formal Charge	0
Complexity	964

SMILES

C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@]2([C@H]([C@@H]([C@H](O2)CO)O)O)CO[C@]3([C@H]([C@@H]([C@H](O3)CO)O)O)CO[C@]4([C@H]([C@@H]([C@H](O4)CO)O)O)CO)O)O)O)O

InChI

InChI=1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(20(38)15(33)11(4-28)44-24)7-40-23(19(37)14(32)10(3-27)43-23)6-39-22(5-29)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20+,21-,22-,23-,24+/m1/s1

InChIKey

FLDFNEBHEXLZRX-DLQNOBSRSA-N

Chemical Structure

2D Structure

CAS: 13133-07-8

CID: 166775

Formula: C24H42O21

MW: 666.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	666.6
XLogP3	-7.4
Hydrogen Bond Donor Count	14
Hydrogen Bond Acceptor Count	21
Rotatable Bond Count	13
Exact Mass	666.22185834
Monoisotopic Mass	666.22185834
Topological Polar Surface Area	348 Å²
Heavy Atom Count	45
Formal Charge	0
Complexity	964
Isotope Atom Count	0
Defined Atom Stereocenter Count	17
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-N1499-01	Nystose
TRC-N489153-50MG	Nystose Trihydrate

Nystose

Chemical Information

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