1-Deoxy-1-(4-hydroxy-7,8-dimethyl-2-oxo-4a,5-dihydrobenzo(g)pteridin-10(2H)-yl)pentitol

HCID 58683

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Basic information

CAS: 101652-10-2
Standard SMILES: Cc1cc2c(cc1C)N(C[C@@H](O)[C@@H](O)[C@@H](O)CO)C1=NC(=O)NC(=O)C1N2
InChIKey: UTKDOUCGQVLJIN-QNMSZWNNSA-N
Molecular formula: C17H22N4O6
Average molar mass: 378.4 g/mol
Monoisotopic mass: 378.15393443

Overview

5-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl)-d-ribitol is an organic molecular entity.

Names & identifiers

Preferred name: 1-Deoxy-1-(4-hydroxy-7,8-dimethyl-2-oxo-4a,5-dihydrobenzo(g)pteridin-10(2H)-yl)pentitol
IUPAC: 7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]-4a,5-dihydrobenzo[g]pteridine-2,4-dione

Names & synonyms

DTXSID409064561-Deoxy-1-(4-hydroxy-7,8-dimethyl-2-oxo-4a,5-dihydrobenzo(g)pteridin-10(2H)-yl)pentitol1-Deoxy-1-(4-hydroxy-7,8-dimethyl-2-oxo-4a,5-dihydrobenzo[g]pteridin-10(2H)-yl)pentitolRefChem:1055341DTXCID901335554RIBOFLAVINE, 4a,5-DIHYDRO-7,8-dimethyl-10-[(2R,3R,4S)-2,3,4,5-tetrahydroxypentyl]-4a,5-dihydrobenzo[g]pteridine-2,4-dioneIsoalloxazine, 4a,5-dihydro-7,8-dimethyl-10-(D-ribo-2,3,4,5-tetrahydroxypentyl)-CHEBI:2305535-deoxy-5-(7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2h)-yl)-d-ribitolNS001257985-Deoxy-5-(4-hydroxy-7,8-dimethyl-2-oxo-4a,5-dihydrobenzo[g]pteridin-10(2H)-yl)-D-ribitol

Database identifiers

CAS: 101652-10-2
PubChem CID: 58683
DTXSID: DTXSID40906456
ChEBI: CHEBI:230553

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 155 Å²
Hydrogen bond donors: 6
Hydrogen bond acceptors: 7
Rotatable bonds: 5
Heavy atoms: 27
Formal charge: 0
Complexity: 629

Related reactions

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Compound notes

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